SCHEMBL4661240

SCHEMBL4661240

COC(=O)C(Cl)(Cl)CCCCCCCC(O)CCc1ccc(Cl)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 1/20 0.39
GAA P10253 1/20 0.38
CYP1A2 P05177 1/20 0.37
CYP2D6 P10635 1/20 0.37
CYP2C19 P33261 1/20 0.37
PPARG P37231 1/20 0.37
PPARA Q07869 1/20 0.37
CNR1 P21554 1/20 0.37
FPR2 P25090 1/20 0.37
KMT2A Q03164 3/20 0.36
MEN1 O00255 2/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
ACLY P53396 1/20 0.36
MME P08473 1/20 0.36
POLB P06746 1/20 0.36
DPP4 P27487 1/20 0.36
ATM Q13315 1/20 0.36
EPHX2 P34913 1/20 0.35
ACACB O00763 1/20 0.35
ACACA Q13085 1/20 0.35

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
SCHEMBL4659864 0.95 HDAC3 (0.41) GAACYP1A2CYP2D6CYP2C19PPARG
SCHEMBL4659918 0.89 PPARA (0.38) PPARGPPARACNR1FPR2KMT2A
SCHEMBL4661128 0.86 HDAC3 (0.48) GAACYP1A2CYP2D6CYP2C19PPARA
SCHEMBL3674094 0.85 ACACB (0.45) PPARGPPARAL3MBTL1ACLYACACB
SCHEMBL4661257 0.84 MMP12 (0.40) GAACYP1A2CYP2D6CYP2C19PPARG
SCHEMBL4662610 0.83 MME (0.35) GAACYP1A2CYP2D6CYP2C19PPARG
SCHEMBL4659891 0.82 GAA (0.47) GAACYP1A2CNR1KMT2AMEN1
SCHEMBL4659861 0.81 HDAC3 (0.38) GAACYP1A2CYP2D6CYP2C19PPARG
SCHEMBL4661171 0.81 MME (0.37) GAACYP1A2CYP2D6CYP2C19PPARG
SCHEMBL3673780 0.80 HDAC3 (0.43) CYP1A2CYP2D6CYP2C19CNR1FPR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1627866-B1 CARBOXYLIC ACID COMPOUND AND MEDICINE CONTAINING THE SAME KOWA CO (JP) 2008-12-24 EP disclosed
US-7109242-B2 Carboxylic compound and medicine comprising the same KOWA COMPANY, LTD. (JP) 2006-09-19 US disclosed
EP-1627866-A1 CARBOXYLIC ACID COMPOUND AND MEDICINE CONTAINING THE SAME Kowa Company Ltd. (JP) 2006-02-22 EP disclosed