SCHEMBL9242862

SCHEMBL9242862

COC(=O)Oc1ccc([S+](C)Cc2ccccc2)cc1.F[B-](F)(F)F

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RAB9A P51151 5/20 0.39
▸ NPC1 O15118 3/20 0.39
▸ GAA P10253 2/20 0.39
▸ TAAR1 Q96RJ0 1/20 0.39
▸ KDM4E B2RXH2 1/20 0.39
▸ HPGD P15428 1/20 0.39
▸ HSD17B10 Q99714 1/20 0.39
▸ CNR2 P34972 1/20 0.36
▸ PPARG P37231 7/20 0.36
▸ PPARA Q07869 5/20 0.36
▸ SMN1; SMN2 Q16637 3/20 0.36
▸ CA12 O43570 1/20 0.36
▸ CA1 P00915 1/20 0.36
▸ CA2 P00918 1/20 0.36
▸ CA3 P07451 1/20 0.36
▸ CA4 P22748 1/20 0.36
▸ CA6 P23280 1/20 0.36
▸ CA5A P35218 1/20 0.36
▸ CA7 P43166 1/20 0.36
▸ CACNA1C Q13936 1/20 0.36

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
SCHEMBL13220642 0.95 RAB9A (0.43) RAB9ANPC1GAATAAR1KDM4E
SCHEMBL30365246 0.92 RAB9A (0.39) RAB9ANPC1GAATAAR1KDM4E
SCHEMBL30031154 0.92 RAB9A (0.39) RAB9ANPC1GAATAAR1KDM4E
SCHEMBL2233552 0.88 RAB9A (0.35) RAB9ANPC1GAATAAR1KDM4E
SCHEMBL9241421 0.86 GAA (0.47) RAB9ANPC1GAAKDM4EHPGD
SCHEMBL10440732 0.86 KMT2A (0.39) RAB9ANPC1GAATAAR1PPARG
Trifluoromethanesulfonic Acid SCHEMBL4178807 0.86 MMP2 (0.37) RAB9ANPC1GAATAAR1ALDH1A1
SCHEMBL9226942 0.84 KMT2A (0.47) RAB9AKDM4EHPGDALDH1A1MAPT
SCHEMBL8757303 0.83 CNR2 (0.34) RAB9ANPC1GAATAAR1CNR2
SCHEMBL9241379 0.82 LTA4H (0.49) RAB9ANPC1KDM4ECA4ALDH1A1

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-5399596-A Cationic polymerization, production of epoxy resins, polystyrene, polyorthoesters, polyorthocarbonates SANSHIN KAGAKU KOGYO CO., LTD. (JP) 1995-03-21 — — US disclosed
Send feedback