SCHEMBL245406

SCHEMBL245406

C=C(C(N)=O)c1ccco1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CES2 O00748 1/20 0.56
CES1 P23141 1/20 0.56
ALDH1A1 P00352 6/20 0.51
HTT P42858 1/20 0.51
NPSR1 Q6W5P4 1/20 0.51
PTPN1 P18031 1/20 0.50
KMT2A Q03164 4/20 0.48
POLB P06746 3/20 0.48
MEN1 O00255 2/20 0.48
RECQL P46063 2/20 0.48
TDP1 Q9NUW8 2/20 0.48
THRB P10828 1/20 0.48
APEX1 P27695 1/20 0.48
SMN1; SMN2 Q16637 4/20 0.46
PKM P14618 3/20 0.46
PTGS1 P23219 1/20 0.45
AGTR1 P30556 1/20 0.44
MAPT P10636 2/20 0.44
LMNA P02545 1/20 0.44
GAA P10253 1/20 0.44

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
SCHEMBL13656481 0.82 CES2 (0.56) CES2CES1ALDH1A1HTTNPSR1
SCHEMBL23069153 0.81 CES2 (0.58) CES2CES1ALDH1A1HTTNPSR1
SCHEMBL146130 0.81 PTPN1 (0.63) CES2CES1ALDH1A1HTTNPSR1
Hydrochloric Acid SCHEMBL6744118 0.79 PTPN1 (0.61) CES2CES1ALDH1A1HTTNPSR1
SCHEMBL4820037 0.79 CES2 (0.56) CES2CES1ALDH1A1HTTNPSR1
SCHEMBL27776787 0.78 CES2 (0.60) CES2CES1ALDH1A1HTTNPSR1
SCHEMBL5188791 0.78 CES2 (0.74) CES2CES1ALDH1A1HTTNPSR1
SCHEMBL60741 0.78
Hydrochloric Acid SCHEMBL31367891 0.76 CES2 (0.62) CES2CES1ALDH1A1HTTNPSR1
Hydrogen Sulfide SCHEMBL28650892 0.76

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-4828407-B2 2011-11-30 JP claimed
WO-2007039170-A1 ANTAGONISTS OF TOPOISOMERASE ACTIVITY AND THEIR USE IN INHIBITING PATHOLOGICAL CONDITIONS EUROPEAN MOLECULAR BIOLOGY LABORATORY (EMBL) (DE) 2007-04-12 WO claimed
EP-1594869-A2 3-SUBSTITUTED-2(ARYLALKYL)-1-AZABICYCLOALKANES AND METHODS OF USE THEREOF Targacept, Inc. (US) 2005-11-16 EP claimed
WO-2004076449-A2 3-SUBSTITUTED-2(ARYLALKYL)-1-AZABICYCLOALKANES AND METHODS OF USE THEREOF TARGACEPT, INC. (US) 2004-09-10 WO claimed
EP-2588521-B1 CROSS-LINKED POLYOLEFIN COMPOSITION BASELL POLIOLEFINE SRL (IT) 2016-10-19 EP disclosed
EP-2588524-B1 CROSS-LINKED POLYOLEFIN COMPOSITION BASELL POLIOLEFINE SRL (IT) 2016-01-06 EP disclosed
CN-104428331-A Active energy ray-polymerizable resin composition and laminate obtained using resin composition TOYO INK SC HOLDINGS CO LTD 2015-03-18 CN disclosed
US-8779063-B2 Cross-linked polyolefin composition BASELL POLIOLEFINE ITALIA S.R.L. (IT) 2014-07-15 US disclosed
US-8669327-B2 Cross-linked polyolefin composition BASELL POLIOLEFINE ITALIA S.R.L. (IT) 2014-03-11 US disclosed
EP-2588521-A1 CROSS-LINKED POLYOLEFIN COMPOSITION Basell Poliolefine Italia S.r.l. (IT) 2013-05-08 EP disclosed
EP-2588524-A1 CROSS-LINKED POLYOLEFIN COMPOSITION Basell Poliolefine Italia S.r.l. (IT) 2013-05-08 EP disclosed
US-20130102735-A1 Cross-Linked Polyolefin Composition Basell Poliolefine Italia, s.r.l. (IT) 2013-04-25 US disclosed
EP-0472956-A2 Dynamically partially crosslinked thermoplastic elastomer containing polybutene-1 MONTELL NORTH AMERICA INC. (US) 1992-03-04 EP disclosed
US-5082869-A Homogeneous, flexible AUSIMONT S.P.A. (IT) 1992-01-21 US disclosed
US-5066700-A Organic Peroxide Vulcanizing Agent, Furan Derivative As A Crosslinking Coadjuvant AUSIMONT S.P.A. (IT) 1991-11-19 US disclosed
EP-0450342-A2 Crosslinked polypropylene compositions suitable for the manufacture of foamed articles SPHERILENE S.r.l. (IT) 1991-10-09 EP disclosed
US-4963612-A Plastoelastomeric polyolefinic compositions and process for preparing them according to dynamic vulcanizable methods AUSIMONT S.R.L. (IT) 1990-10-16 US disclosed
EP-0361205-A2 Plastoelastomeric polyolefin compositions and process for preparing them HIMONT ITALIA S.r.l. (IT) 1990-04-04 EP disclosed
US-4906659-A Antibiotic tan-749, its derivatives, production and use thereof TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1990-03-06 US disclosed
EP-0271829-A2 Delta-hydroxy-beta-lysine derivatives and their production Takeda Chemical Industries, Ltd. (JP) 1988-06-22 EP disclosed