SCHEMBL5704388

SCHEMBL5704388

CCCCC[C](CC)C(C)(C)C

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CES2 O00748 4/20 0.42
CES1 P23141 4/20 0.42
AKR1B1 P15121 1/20 0.40
FAAH O00519 1/20 0.39
GPR84 Q9NQS5 7/20 0.39
PPARG P37231 7/20 0.39
PPARD Q03181 7/20 0.39
PPARA Q07869 7/20 0.39
HDAC11 Q96DB2 5/20 0.39
TSHR P16473 4/20 0.39
PTPN1 P18031 3/20 0.39
ALDH1A1 P00352 2/20 0.39
TLR2 O60603 2/20 0.39
TDP1 Q9NUW8 2/20 0.39
FABP4 P15090 2/20 0.39
SLC22A6 Q4U2R8 1/20 0.39
SLC22A8 Q8TCC7 1/20 0.39
MEN1 O00255 1/20 0.39
ESR1 P03372 1/20 0.39
ALOX15 P16050 1/20 0.39

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
SCHEMBL7057813 0.97 CES1 (0.44) CES2CES1FAAHGPR84PPARG
SCHEMBL15158037 0.97 CES1 (0.44) CES2CES1FAAHGPR84PPARG
SCHEMBL1929977 0.89 CES2 (0.46) CES2CES1AKR1B1FAAHGPR84
SCHEMBL6857754 0.86 CES2 (0.48) CES2CES1FAAHGPR84PPARG
SCHEMBL7057112 0.86 CES2 (0.48) CES2CES1FAAHGPR84PPARG
SCHEMBL6471956 0.80 ALDH1A1 (0.35) CES2CES1TSHRALDH1A1
SCHEMBL9782912 0.76 CES1 (0.40) CES2CES1AKR1B1FAAHTSHR
SCHEMBL396944 0.73
SCHEMBL19895687 0.72 CES2 (0.46) CES2CES1AKR1B1FAAHGPR84
SCHEMBL19326566 0.72 CES2 (0.40) CES2CES1AKR1B1FAAHGPR84

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 11 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1246857-B1 PROCESS FOR THE PREPARATION OF AN EXTRUSION-GRADE ABS POLYMER HAVING IMPROVED PROPERTIES BAYER CORP (US) 2006-08-23 EP disclosed
US-6528591-B2 Continuous processing; acrylonitrile-butadiene-styrene terpolymer BAYER CORPORATION 2003-03-04 US disclosed
US-6492467-B1 PREPARATION OF A BLEND OF ABS POLYMERS IS DISCLOSED. THE INVENTION COMPRISES INTRODUCING A CORE/SHELL GRAFTED RUBBER IN THE FORM OF POWDER (CRUMB) TO AT LEAST ONE STAGE OF THE CONTINUOUS MASS POLYMERIZATION PROCESS FOR MAKING AN ABS BAYER CORPORATION 2002-12-10 US disclosed
WO-2002090405-A2 A PROCESS FOR MAKING ABS POLYMERIC BLENDS BAYER POLYMERS LLC (US) 2002-11-14 WO disclosed
EP-1246857-A1 EXTRUSION-GRADE ABS POLYMER HAVING IMPROVED PROPERTIES AND A PROCESS FOR ITS PREPARATION Bayer Corporation (US) 2002-10-09 EP disclosed
EP-0474618-B1 High-gloss ABS made by continuous process BAYER ANTWERPEN NV (BE) 2002-02-27 EP disclosed
US-20010031827-A1 Process for preparing extrusion grade ABS polymer INEOS ABS (JERSEY) LIMITED 2001-10-18 US disclosed
WO-2001048043-A1 EXTRUSION-GRADE ABS POLYMER HAVING IMPROVED PROPERTIES AND A PROCESS FOR ITS PREPARATION BAYER CORPORATION (US) 2001-07-05 WO disclosed
US-5286792-A Continuous mass processing MONSANTO COMPANY (US) 1994-02-15 US disclosed
US-5166261-A Acrtylonitrile-butadiene-styrene-ester polymers formed by solution polymerization MONSANTO COMPANY (US) 1992-11-24 US disclosed
EP-0474618-A2 High-gloss ABS made by continuous process MONSANTO COMPANY (US) 1992-03-11 EP disclosed