SCHEMBL9509775

SCHEMBL9509775

CCCCCc1ccc(CCc2ccc(-c3ccc(CCCC)c(F)c3F)cc2)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RARB P10826 9/20 0.48
MPL P40238 3/20 0.43
HSD11B1 P28845 2/20 0.42
HSD17B10 Q99714 2/20 0.42
TSHR P16473 1/20 0.42
RARA P10276 2/20 0.42
RARG P13631 1/20 0.42
ESR1 P03372 2/20 0.41
ADRA2A P08913 2/20 0.41
ADORA3 P0DMS8 2/20 0.41
TACR2 P21452 2/20 0.41
SLC6A2 P23975 2/20 0.41
SLC6A4 P31645 2/20 0.41
SLC6A3 Q01959 2/20 0.41
ALDH1A1 P00352 2/20 0.41
KDM4E B2RXH2 1/20 0.41
LMNA P02545 1/20 0.41
SHBG P04278 1/20 0.41
TP53 P04637 1/20 0.41
CYP3A4 P08684 1/20 0.41

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
SCHEMBL9486831 0.97 RARB (0.51) RARBHSD11B1HSD17B10TSHRRARA
SCHEMBL9497760 0.97 RARB (0.48) RARBMPLHSD11B1HSD17B10TSHR
SCHEMBL9485948 0.97 RARB (0.48) RARBMPLHSD11B1HSD17B10TSHR
SCHEMBL9485510 0.97 RARB (0.51) RARBHSD11B1HSD17B10TSHRRARA
SCHEMBL9486894 0.97 RARB (0.51) RARBHSD11B1HSD17B10TSHRRARA
SCHEMBL9563854 0.97 RARB (0.50) RARBMPLHSD11B1HSD17B10TSHR
SCHEMBL9494649 0.95 RARB (0.50) RARBMPLHSD17B10TSHRRARA
SCHEMBL9493114 0.95 RARB (0.50) RARBMPLHSD17B10TSHRRARA
SCHEMBL9487333 0.95 RARB (0.49) RARBMPLHSD11B1HSD17B10TSHR
SCHEMBL9494664 0.95 RARB (0.49) RARBMPLHSD11B1HSD17B10TSHR

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
EP-0362318-B1 2,3-DIFLUOROBIPHENYLS MERCK PATENT GmbH (DE) 1993-08-04 EP disclosed