SCHEMBL9547817

SCHEMBL9547817

CCCCC[C@@H](F)COC(C)c1ccc(-c2ccc(OCc3ccccc3)cc2)cc1

nearest known ligand 0.43

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ACACB O00763 1/20 0.43
CTRC Q99895 1/20 0.42
ALOX5 P09917 1/20 0.41
FFAR1 O14842 1/20 0.41
ENPP3 O14638 1/20 0.40
ENPP1 P22413 1/20 0.40
PLA2G10 O15496 1/20 0.39
PLA2G2A P14555 1/20 0.39
BCHE P06276 1/20 0.39
AR P10275 1/20 0.39
SIGMAR1 Q99720 1/20 0.39

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
SCHEMBL9547815 1.00 ACACB (0.43) ACACBCTRCALOX5FFAR1ENPP3
SCHEMBL9547813 1.00 ACACB (0.43) ACACBCTRCALOX5FFAR1ENPP3
SCHEMBL9547770 0.82 PLA2G10 (0.49) ACACBCTRCFFAR1ENPP3ENPP1
SCHEMBL9547780 0.81 NR5A1 (0.36) AR
SCHEMBL9547777 0.81 NR5A1 (0.36) AR
SCHEMBL9547784 0.81 NR5A1 (0.36) AR
SCHEMBL9547745 0.80 ACACB (0.51) ACACBALOX5FFAR1ENPP3ENPP1
SCHEMBL9547776 0.78 MEN1 (0.48) CTRCALOX5PLA2G10PLA2G2AAR
SCHEMBL7791040 0.77 CTRC (0.44) CTRCPLA2G10PLA2G2AAR
SCHEMBL9547748 0.76 FFAR1 (0.49) ALOX5FFAR1BCHE

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