SCHEMBL3172833

SCHEMBL3172833

O=C(Nc1ccccc1I)N[C@H]1CC[C@H](OCc2c(F)cccc2F)CC1

nearest known ligand 0.59

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ EPHX2 P34913 8/20 0.59
▸ KMT2A Q03164 2/20 0.50
▸ NPC1 O15118 1/20 0.50
▸ RAB9A P51151 1/20 0.50
▸ KDM4E B2RXH2 5/20 0.46
▸ ALDH1A1 P00352 5/20 0.46
▸ TDP1 Q9NUW8 1/20 0.43
▸ MEN1 O00255 1/20 0.43
▸ HTT P42858 1/20 0.43
▸ SMN1; SMN2 Q16637 1/20 0.43
▸ PKM P14618 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
SCHEMBL3172840 1.00 EPHX2 (0.59) EPHX2KMT2ANPC1RAB9AKDM4E
SCHEMBL3178421 0.91 EPHX2 (0.63) EPHX2KMT2ANPC1RAB9AKDM4E
SCHEMBL3178427 0.91 EPHX2 (0.63) EPHX2KMT2ANPC1RAB9AKDM4E
SCHEMBL3179778 0.87 EPHX2 (0.59) EPHX2KMT2ANPC1RAB9AKDM4E
SCHEMBL3181113 0.87 EPHX2 (0.59) EPHX2KMT2ANPC1RAB9AKDM4E
SCHEMBL3181109 0.87 EPHX2 (0.59) EPHX2KMT2ANPC1RAB9AKDM4E
SCHEMBL3178456 0.87 EPHX2 (0.59) EPHX2KMT2ANPC1RAB9AKDM4E
SCHEMBL3179788 0.87 EPHX2 (0.59) EPHX2KMT2ANPC1RAB9AKDM4E
SCHEMBL3178463 0.87 EPHX2 (0.59) EPHX2KMT2ANPC1RAB9AKDM4E
SCHEMBL3181086 0.86 EPHX1 (0.59) EPHX2KMT2ANPC1RAB9AKDM4E

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