SCHEMBL9547776

SCHEMBL9547776

CCCCCCOC(C)c1ccc(OCc2ccccc2)cc1

nearest known ligand 0.49

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.48
RAB9A P51151 1/20 0.48
KMT2A Q03164 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
LTA4H P09960 1/20 0.48
PLA2G10 O15496 1/20 0.47
PLA2G2A P14555 1/20 0.47
CTRC Q99895 1/20 0.46
NR5A1 Q13285 1/20 0.45
AR P10275 1/20 0.45
ALOX5 P09917 1/20 0.45
CHRNB2 P17787 1/20 0.45
CHRNB4 P30926 1/20 0.45
CHRNA3 P32297 1/20 0.45
CHRNA7 P36544 1/20 0.45
CHRNA4 P43681 1/20 0.45
MAOB P27338 1/20 0.44

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
SCHEMBL9547770 0.96 PLA2G10 (0.49) MEN1RAB9AKMT2ASMN1; SMN2LTA4H
SCHEMBL9126836 0.89 ALOX5 (0.50) MEN1RAB9AKMT2ASMN1; SMN2PLA2G10
SCHEMBL9547791 0.89 ALOX5 (0.49) MEN1RAB9AKMT2ASMN1; SMN2ALOX5
SCHEMBL9547852 0.88 APP (0.48) RAB9ASMN1; SMN2NR5A1MAOB
SCHEMBL10333967 0.88 RARB (0.50) RAB9ALTA4HNR5A1
SCHEMBL9547745 0.85 ACACB (0.51) ALOX5CHRNB2CHRNB4CHRNA3CHRNA7
SCHEMBL4034303 0.85 ALOX5 (0.49) MEN1RAB9AKMT2ASMN1; SMN2LTA4H
SCHEMBL15923575 0.84 LTA4H (0.66) MEN1RAB9AKMT2ASMN1; SMN2LTA4H
SCHEMBL27974031 0.84 LTA4H (0.66) MEN1RAB9AKMT2ASMN1; SMN2LTA4H
SCHEMBL10770568 0.84 CTRC (0.51) MEN1RAB9AKMT2ASMN1; SMN2LTA4H

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0288297-B1 OPTICALLY ACTIVE BENZENE DERIVATIVES AND PROCESS FOR PREPARATION THEREOF SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1993-03-17 EP disclosed
US-4985590-A Optically active benzene derivatives and process for preparation thereof SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1991-01-15 US disclosed