SCHEMBL7065134

SCHEMBL7065134

C=C(Cl)CC(C)(C(=O)OCC)C(=O)OCC

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP8 P22894 2/20 0.43
CYP4F2 P78329 3/20 0.38
CYP4A11 Q02928 3/20 0.38
TSHR P16473 2/20 0.38
ABCB11 O95342 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
HTR2A P28223 1/20 0.38
PMP22 Q01453 1/20 0.38
PPARA Q07869 1/20 0.38
PKM P14618 3/20 0.36
ALDH1A1 P00352 3/20 0.36
KDM4E B2RXH2 1/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
LMNA P02545 1/20 0.34
HSD17B10 Q99714 1/20 0.34
THRB P10828 1/20 0.34
ALOX15 P16050 1/20 0.33
MGAM O43451 1/20 0.33

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
SCHEMBL1254625 0.84 CYP4F2 (0.46) MMP8CYP4F2CYP4A11TSHRABCB11
SCHEMBL9785125 0.82 MMP8 (0.44) MMP8CYP4F2CYP4A11TSHRABCB11
SCHEMBL7986924 0.82 MEN1 (0.44) MMP8CYP4F2CYP4A11TSHRABCB11
SCHEMBL25776097 0.81 CYP4F2 (0.36) MMP8CYP4F2CYP4A11TSHRABCB11
SCHEMBL7067023 0.78 MMP8 (0.42) MMP8CYP4F2CYP4A11TSHRABCB11
SCHEMBL14280523 0.77 MMP8 (0.47) MMP8CYP4F2CYP4A11TSHRABCB11
SCHEMBL1076676 0.77 GAA (0.48) MMP8CYP4F2CYP4A11TSHRABCB11
SCHEMBL11011347 0.75 CYP4F2 (0.40) MMP8CYP4F2CYP4A11TSHRABCB11
SCHEMBL9077903 0.74 MMP8 (0.42) MMP8CYP4F2CYP4A11TSHRABCB11
SCHEMBL7512223 0.73 MMP8 (0.52) MMP8CYP4F2CYP4A11TSHRABCB11

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20030149211-A1 Free radical initiated polymerization of unsaturated monomers with the use of a allylic chain transfer agent for molecular weight control AXALTA COATING SYSTEMS IP CO. LLC (FORMERLY KNOWN AS U.S. COATINGS IP CO. LLC) 2003-08-07 US disclosed
CN-1389451-A Allyl chain transfer agent COMMW SCIENT IND RES ORG (AU) 2003-01-08 CN disclosed
CN-1082965-C Allyl chain transfer agent COMMW SCIENT IND RES ORG (AU) 2002-04-17 CN disclosed
EP-0729449-B1 ALLYLIC CHAIN TRANSFER AGENTS COMMW SCIENT IND RES ORG (AU) 2000-02-02 EP disclosed
US-5977278-A Polymers formed from allylic chain transfer agents E. I. DU PONT DE NEMOURS AND COMPANY (US) 1999-11-02 US disclosed
US-5773543-A FOR FREE RADICAL INITIATED POLYMERIZATION OF UNSATURATED SPECIES; MOLECULAR WEIGHT CONTROL COMMONWEALTH SCIENTIFIC AND INDUSTRIAL RESEARCH ORGANISATION (AU) 1998-06-30 US disclosed
EP-0729449-A4 ALLYLIC CHAIN TRANSFER AGENTS COMMW SCIENT IND RES ORG (AU) 1997-01-22 EP disclosed
CN-1138320-A Allyl chain transfer agent COMMW SCIENT IND RES ORG (AU) 1996-12-18 CN disclosed
EP-0729449-A1 ALLYLIC CHAIN TRANSFER AGENTS COMMONWEALTH SCIENTIFIC AND INDUSTRIAL RESEARCH ORGANISATION (AU) 1996-09-04 EP disclosed
WO-1995012568-A1 ALLYLIC CHAIN TRANSFER AGENTS COMMONWEALTH SCIENTIFIC AND INDUSTRIAL RESEARCH ORGANISATION (AU) 1995-05-11 WO disclosed