SCHEMBL9664166

SCHEMBL9664166

CCCCc1ccc(-c2ccc(CCc3ccc(CCC)cc3F)cc2)cc1

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
RARB P10826 9/20 0.46
RARA P10276 2/20 0.46
RARG P13631 1/20 0.46
S1PR1 P21453 2/20 0.40
TSHR P16473 1/20 0.40
HSD17B10 Q99714 1/20 0.40
SKP2 Q13309 1/20 0.39
MEN1 O00255 1/20 0.39
ALDH1A1 P00352 1/20 0.39
MAPT P10636 1/20 0.39
MTOR P42345 1/20 0.39
KMT2A Q03164 1/20 0.39
HTR2A P28223 1/20 0.39
AKR1C2 P52895 1/20 0.38
AKR1C1 Q04828 1/20 0.38
HSD11B1 P28845 1/20 0.38
ALOX5 P09917 1/20 0.38
S1PR3 Q99500 1/20 0.38

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
SCHEMBL9663375 0.95 RARB (0.51) RARBRARARARGS1PR1TSHR
SCHEMBL9664336 0.94 ALOX5 (0.41) RARBRARARARGHSD17B10MAPT
SCHEMBL9796319 0.93 RARB (0.47) RARBRARARARGS1PR1TSHR
SCHEMBL12740165 0.90 RARB (0.44) RARBRARARARGS1PR1HSD11B1
SCHEMBL9663861 0.89 RARB (0.58) RARBRARARARGS1PR1TSHR
SCHEMBL9664848 0.89 TAAR1 (0.40) RARBRARARARGHSD17B10MAPT
SCHEMBL8990636 0.89 MAOB (0.47) RARBRARARARGHSD17B10ALDH1A1
SCHEMBL8990742 0.88 RARB (0.50) RARBRARARARGS1PR1TSHR
SCHEMBL9664990 0.88 RARB (0.60) RARBRARARARGTSHRHSD17B10
SCHEMBL9664954 0.87 RARB (0.47) RARBRARARARGHSD17B10MAPT

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-5093026-A Liquid crystals MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1992-03-03 US disclosed