SCHEMBL2553538

SCHEMBL2553538

COC(CC(=O)O)(OC)C(=O)O

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CYP2C19 P33261 2/20 0.46
HIF1A Q16665 2/20 0.46
CYP2D6 P10635 1/20 0.46
TSHR P16473 1/20 0.46
ALDH1A1 P00352 1/20 0.42
HMGCR P04035 1/20 0.42
CHRM1 P11229 1/20 0.42
TBXA2R P21731 1/20 0.42
ADRA1A P35348 1/20 0.42
CPT2 P23786 2/20 0.36
KDM4E B2RXH2 1/20 0.36
FFAR1 O14842 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
ACLY P53396 3/20 0.34
FFAR3 O14843 1/20 0.32

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL28172886 0.78 TSHR (0.33) CYP2C19HIF1ACYP2D6TSHRALDH1A1
SCHEMBL7910691 0.77 TSHR (0.37) CYP2C19HIF1ACYP2D6TSHRALDH1A1
SCHEMBL27607369 0.76 ALDH1A1 (0.43) CYP2C19HIF1ACYP2D6TSHRALDH1A1
SCHEMBL16965437 0.76 ALDH1A1 (0.35) CYP2C19HIF1ACYP2D6TSHRALDH1A1
SCHEMBL9637983 0.75 CYP2D6 (0.42) CYP2C19HIF1ACYP2D6TSHRALDH1A1
SCHEMBL347366 0.74 CYP2C19 (0.46) CYP2C19HIF1ACYP2D6TSHRALDH1A1
SCHEMBL7738377 0.74 NOS1 (0.32) TSHRALDH1A1
SCHEMBL21639434 0.74 TSHR (0.32) TSHRALDH1A1
SCHEMBL5975709 0.74 CYP2C19 (0.46) CYP2C19HIF1ACYP2D6TSHRALDH1A1
SCHEMBL4086413 0.72 HMGCR (0.46) CYP2C19HIF1ACYP2D6TSHRALDH1A1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 27 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2011124228-A1 A BIOCIDAL POLYOLEFIN YARN WITH 3-12 FILAMENTS VESTERGAARD FRANDSEN SA (CH) 2011-10-13 WO claimed
WO-2011124227-A1 BIOCIDAL ACID-ADJUSTED POLYMER WITH POLYPROPYLENE VESTERGAARD FRANDSEN SA (CH) 2011-10-13 WO claimed
CN-1185782-A New derivatives of 2-azabicyclo [2,2,1] heptane, their preparation and use RHONE POULENC RORER SA (FR) 1998-06-24 CN claimed
US-4101380-A USING POLYOXYETHYLENE GLYCOL DERIVATIVES AND ACTIBATED CARBOXYLIC ESTERS RESEARCH PRODUCTS REHOVOT LTD. (IL) 1978-07-18 US claimed
US-20130282300-A1 Combined Spectroscopic Method for Rapid Differentiation of Biological Samples NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2013-10-24 US disclosed
WO-2011124228-A1 A BIOCIDAL POLYOLEFIN YARN WITH 3-12 FILAMENTS VESTERGAARD FRANDSEN SA (CH) 2011-10-13 WO disclosed
WO-2011124227-A1 BIOCIDAL ACID-ADJUSTED POLYMER WITH POLYPROPYLENE VESTERGAARD FRANDSEN SA (CH) 2011-10-13 WO disclosed
US-20070221835-A1 Combined Spectroscopic Method for Rapid Differentiation of Biological Samples NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2007-09-27 US disclosed
CN-1249034-C Novel derivative of 2-azadicyclo-(2,2,1) heptane, its prepn. and use AVENTIS PHARMA (FR) 2006-04-05 CN disclosed
CN-1397549-A Novel derivative of 2-azadicyclo-(2,2,1) heptane, its prepn. and use AVENTIS PHARMA (FR) 2003-02-19 CN disclosed
CN-1385422-A Process for preparing 2-azadihydroxybicyclo [2.2.1] heptane compounds AVENTIS PHARMA INC (US) 2002-12-18 CN disclosed
CN-1094927-C Process for preparing 2-azadihydroxybicyclo [2.2.1] heptane compounds and L-tartrate salts of such compounds AVENTIS PHARMACEUTICAL CORP (US) 2002-11-27 CN disclosed
US-5808093-A L-tartaric acid salt of a (1R) diastereomer of a 2-azadihydroxybicyclo 2.2.1!heptane compound and the preparation of 2-azabicyclo 2.2.1!heptane compounds RHONE-POULENC RORER S.A. (FR) 1998-09-15 US disclosed
CN-1185782-A New derivatives of 2-azabicyclo [2,2,1] heptane, their preparation and use RHONE POULENC RORER SA (FR) 1998-06-24 CN disclosed
WO-1998016510-A1 PROCESS FOR PREPARING 2-AZADIHYDROXYBICYCLO[2.2.1]HEPTANE COMPOUNDS AND THE L-TARTARIC ACID SALT OF THE COMPOUND RHONE-POULENC RORER PHARMACEUTICALS INC. (US) 1998-04-23 WO disclosed
US-5684159-A L-tartaric acid salt of a (1R) diastereomer of a 2-azadihydroxybicyclo 2.2.1!heptane compound and the preparation of 2-azabicyclo 2.2.1!heptane compounds RHONE-POULENC RORER S.A. (FR) 1997-11-04 US disclosed
US-5670649-A Derivatives of 2-azabicyclo 2.2.1!heptane, their preparation and their application RHONE-POULENC RORER S.A. (FR) 1997-09-23 US disclosed
EP-0341713-A2 Optically active compounds, liquid crystal compositions comprising said compounds, and liquid crystal optical modulators using said compositions HITACHI, LTD. (JP) 1989-11-15 EP disclosed
US-4581056-A Synergistic senescence delaying foliar fertilizer composition and method of using same to delay senescence in field crops THE BOARD OF REGENTS OF UNIVERSITY OF MICHIGAN, CORP. OF MICHIGAN (US) 1986-04-08 US disclosed
US-4101380-A USING POLYOXYETHYLENE GLYCOL DERIVATIVES AND ACTIBATED CARBOXYLIC ESTERS RESEARCH PRODUCTS REHOVOT LTD. (IL) 1978-07-18 US disclosed