SCHEMBL14412874

SCHEMBL14412874

NC(=O)N1CCC(Oc2ccccc2OC(F)(F)F)CC1

nearest known ligand 0.53

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ EPHX2 P34913 5/20 0.53
▸ CYP2C9 P11712 3/20 0.53
▸ CYP2J2 P51589 3/20 0.53
▸ HSD11B1 P28845 1/20 0.46
▸ SCD O00767 7/20 0.45
▸ PIM1 P11309 1/20 0.44
▸ PIM2 Q9P1W9 1/20 0.44
▸ MGLL Q99685 1/20 0.44
▸ SCN9A Q15858 1/20 0.43
▸ RBP4 P02753 1/20 0.42

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
SCHEMBL31381205 0.84 SCD (0.61) EPHX2SCDRBP4
SCHEMBL2764082 0.83 CYP2C9 (0.47) EPHX2CYP2C9CYP2J2HSD11B1SCD
SCHEMBL14413529 0.83 EPHX2 (0.59) EPHX2PIM1PIM2
SCHEMBL4096764 0.82 KDM1A (0.54) EPHX2CYP2C9CYP2J2
SCHEMBL13873160 0.81 EPHX2 (0.56) EPHX2CYP2C9CYP2J2SCN9ARBP4
SCHEMBL14413611 0.80 PIM1 (0.47) EPHX2SCDPIM1PIM2RBP4
SCHEMBL3111770 0.78 RBP4 (0.65) EPHX2SCDPIM1PIM2RBP4
SCHEMBL3339119 0.78 EPHX2 (0.47) EPHX2CYP2C9CYP2J2HSD11B1SCD
SCHEMBL14412821 0.75 EPHX2 (0.57) EPHX2CYP2C9CYP2J2
SCHEMBL646216 0.75 EPHX2 (0.41) EPHX2CYP2C9CYP2J2PIM1PIM2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2007106705-A1 SOLUBLE EPOXIDE HYDROLASE INHIBITORS AND METHODS OF USING SAME BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2007-09-20 — — WO disclosed
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