SCHEMBL27626166

SCHEMBL27626166

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

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 1/20 0.37
PRSS1 P07477 1/20 0.34
PRSS2 P07478 1/20 0.34
PRSS3 P35030 1/20 0.34
TSHR P16473 2/20 0.34
CYP3A4 P08684 1/20 0.34
ATM Q13315 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
CNR1 P21554 2/20 0.34
DAGLA Q9Y4D2 2/20 0.34
CTSK P43235 1/20 0.34
CA2 P00918 2/20 0.33
MMP9 P14780 1/20 0.33
MMP8 P22894 1/20 0.33
MMP14 P50281 1/20 0.33
S1PR5 Q9H228 1/20 0.33
GPR84 Q9NQS5 3/20 0.33
FFAR1 O14842 1/20 0.33
PDCD4 Q53EL6 1/20 0.32
CNR2 P34972 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
SCHEMBL27646554 0.96 EPHX2 (0.39) EPHX2TSHRCYP3A4ATMTDP1
SCHEMBL27626191 0.88 EPHX2 (0.45) EPHX2PRSS1PRSS2PRSS3TSHR
SCHEMBL5364963 0.88 EPHX2 (0.39) EPHX2CNR1DAGLACTSKCA2
SCHEMBL27626107 0.88 EPHX2 (0.39) EPHX2CNR1DAGLACTSKCA2
SCHEMBL27646674 0.84 EPHX2 (0.47) EPHX2TSHRCYP3A4ATMTDP1
SCHEMBL27625979 0.82 ACE2 (0.36) EPHX2CNR1DAGLACTSKS1PR5
SCHEMBL5371355 0.82 EPHX2 (0.37) EPHX2CNR1DAGLACTSKS1PR5
SCHEMBL9876145 0.81 CTSK (0.40) EPHX2CTSKCA2S1PR5
SCHEMBL30272012 0.79 EPHX2 (0.47) EPHX2CNR1DAGLACTSKGPR84
SCHEMBL27646469 0.78 TSHR (0.48) TSHRCYP3A4ATMTDP1CTSK

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