SCHEMBL3182568

SCHEMBL3182568

COc1ccc(NC(=O)N[C@H]2CC[C@H](OCc3c(F)cccc3F)CC2)cc1

nearest known ligand 0.63

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ EPHX2 P34913 14/20 0.63
▸ NPC1 O15118 4/20 0.57
▸ RAB9A P51151 4/20 0.57
▸ EPHX1 P07099 1/20 0.57
▸ MEN1 O00255 2/20 0.49
▸ KMT2A Q03164 2/20 0.49
▸ ALDH1A1 P00352 1/20 0.49
▸ MAPT P10636 1/20 0.49
▸ SMN1; SMN2 Q16637 2/20 0.48
▸ FAAH O00519 2/20 0.48
▸ PKM P14618 1/20 0.48
▸ NFKB1 P19838 1/20 0.48
▸ NFKB2 Q00653 1/20 0.48
▸ RELA Q04206 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
SCHEMBL3182573 1.00 EPHX2 (0.63) EPHX2NPC1RAB9AEPHX1MEN1
SCHEMBL3190106 0.90 EPHX2 (0.69) EPHX2NPC1RAB9AMEN1KMT2A
SCHEMBL12932322 0.90 EPHX2 (0.69) EPHX2NPC1RAB9AMEN1KMT2A
SCHEMBL3183175 0.89 EPHX2 (0.66) EPHX2NPC1RAB9AEPHX1MEN1
SCHEMBL3183168 0.89 EPHX2 (0.66) EPHX2NPC1RAB9AEPHX1MEN1
SCHEMBL3190094 0.89 EPHX2 (0.68) EPHX2NPC1RAB9AEPHX1ALDH1A1
SCHEMBL3190084 0.89 EPHX2 (0.68) EPHX2NPC1RAB9AEPHX1ALDH1A1
SCHEMBL3178477 0.88 EPHX2 (0.72) EPHX2NPC1RAB9AEPHX1MEN1
SCHEMBL3178470 0.88 EPHX2 (0.72) EPHX2NPC1RAB9AEPHX1MEN1
SCHEMBL3188621 0.88 EPHX2 (0.64) EPHX2EPHX1FAAH

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
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