SCHEMBL3178421

SCHEMBL3178421

O=C(Nc1ccccc1F)N[C@H]1CC[C@H](OCc2c(F)cccc2F)CC1

nearest known ligand 0.69

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ EPHX2 P34913 10/20 0.63
▸ KMT2A Q03164 2/20 0.61
▸ NPC1 O15118 2/20 0.61
▸ RAB9A P51151 2/20 0.61
▸ SMN1; SMN2 Q16637 2/20 0.47
▸ MEN1 O00255 1/20 0.47
▸ HTT P42858 1/20 0.47
▸ KDM4E B2RXH2 4/20 0.46
▸ ALDH1A1 P00352 4/20 0.46
▸ TDP1 Q9NUW8 1/20 0.46
▸ PKM P14618 1/20 0.45

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
SCHEMBL3178427 1.00 EPHX2 (0.63) EPHX2KMT2ANPC1RAB9ASMN1; SMN2
SCHEMBL3179778 0.91 EPHX2 (0.59) EPHX2KMT2ANPC1RAB9ASMN1; SMN2
SCHEMBL3179788 0.91 EPHX2 (0.59) EPHX2KMT2ANPC1RAB9ASMN1; SMN2
SCHEMBL3172833 0.91 EPHX2 (0.59) EPHX2KMT2ANPC1RAB9ASMN1; SMN2
SCHEMBL3178463 0.91 EPHX2 (0.59) EPHX2KMT2ANPC1RAB9ASMN1; SMN2
SCHEMBL3178456 0.91 EPHX2 (0.59) EPHX2KMT2ANPC1RAB9ASMN1; SMN2
SCHEMBL3181113 0.91 EPHX2 (0.59) EPHX2KMT2ANPC1RAB9ASMN1; SMN2
SCHEMBL3172840 0.91 EPHX2 (0.59) EPHX2KMT2ANPC1RAB9ASMN1; SMN2
SCHEMBL3181109 0.91 EPHX2 (0.59) EPHX2KMT2ANPC1RAB9ASMN1; SMN2
SCHEMBL3181092 0.90 EPHX1 (0.59) EPHX2KMT2ANPC1RAB9ASMN1; SMN2

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