SCHEMBL27646554

SCHEMBL27646554

CCCCC(CC)CC(CCCC)OC(=O)C1CCC(C(=O)O)CC1

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 1/20 0.39
CYP3A4 P08684 4/20 0.36
TSHR P16473 2/20 0.36
ATM Q13315 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
CA2 P00918 4/20 0.36
MMP9 P14780 1/20 0.35
MMP8 P22894 1/20 0.35
MMP14 P50281 1/20 0.35
ALDH1A1 P00352 3/20 0.34
L3MBTL1 Q9Y468 1/20 0.33
MAPK1 P28482 1/20 0.33
PRKCA P17252 1/20 0.32
PRKCD Q05655 1/20 0.32
RECQL P46063 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
SCHEMBL27626166 0.96 EPHX2 (0.37) EPHX2CYP3A4TSHRATMTDP1
SCHEMBL27646674 0.87 EPHX2 (0.47) EPHX2CYP3A4TSHRATMTDP1
SCHEMBL9876145 0.84 CTSK (0.40) EPHX2CA2MAPK1PRKCAPRKCD
SCHEMBL27626191 0.84 EPHX2 (0.45) EPHX2CYP3A4TSHRATMTDP1
SCHEMBL27626107 0.83 EPHX2 (0.39) EPHX2CA2
SCHEMBL5364963 0.83 EPHX2 (0.39) EPHX2CA2
SCHEMBL27646469 0.81 TSHR (0.48) CYP3A4TSHRATMTDP1CA2
SCHEMBL27626160 0.80 TSHR (0.49) EPHX2CYP3A4TSHRATMTDP1
SCHEMBL5371355 0.80 EPHX2 (0.37) EPHX2
SCHEMBL31247926 0.79 CYP3A4 (0.40) CYP3A4TSHRATMTDP1CA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101410646-A Torque limiter JTEKT CORP (JP) 2009-04-15 CN disclosed
CN-1784203-A Cosmetic composition containing cyclohexane polycarboxylic acid derivative BASF AG (DE) 2006-06-07 CN disclosed