SCHEMBL3194077

SCHEMBL3194077

O=C(Nc1ccc(Cl)cc1)N[C@H]1CC[C@H](OCc2c(F)cccc2F)CC1

nearest known ligand 0.66

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ EPHX2 P34913 13/20 0.66
▸ ALDH1A1 P00352 5/20 0.53
▸ KDM4E B2RXH2 1/20 0.53
▸ NPC1 O15118 1/20 0.53
▸ EPHX1 P07099 1/20 0.53
▸ CYP2C9 P11712 1/20 0.53
▸ CYP2C19 P33261 1/20 0.53
▸ RAB9A P51151 1/20 0.53
▸ SMN1; SMN2 Q16637 1/20 0.53
▸ MEN1 O00255 1/20 0.53
▸ KMT2A Q03164 1/20 0.53
▸ FAAH O00519 2/20 0.53
▸ CNR1 P21554 1/20 0.48

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
SCHEMBL3194087 1.00 EPHX2 (0.66) EPHX2ALDH1A1KDM4ENPC1EPHX1
SCHEMBL3190084 0.91 EPHX2 (0.68) EPHX2ALDH1A1KDM4ENPC1EPHX1
SCHEMBL3190094 0.91 EPHX2 (0.68) EPHX2ALDH1A1KDM4ENPC1EPHX1
SCHEMBL3178470 0.90 EPHX2 (0.72) EPHX2ALDH1A1KDM4ENPC1EPHX1
SCHEMBL3178477 0.90 EPHX2 (0.72) EPHX2ALDH1A1KDM4ENPC1EPHX1
SCHEMBL3189493 0.89 EPHX2 (0.72) EPHX2ALDH1A1KDM4ENPC1EPHX1
SCHEMBL3189486 0.89 EPHX2 (0.72) EPHX2ALDH1A1KDM4ENPC1EPHX1
SCHEMBL3189587 0.89 EPHX2 (0.66) EPHX2ALDH1A1KDM4ENPC1EPHX1
SCHEMBL3189594 0.89 EPHX2 (0.66) EPHX2ALDH1A1KDM4ENPC1EPHX1
SCHEMBL3192516 0.89 EPHX2 (0.66) EPHX2ALDH1A1KDM4ENPC1EPHX1

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
US-7662910-B2 Inhibitors for the soluble epoxide hydrolase THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2010-02-16 — — US claimed
Send feedback