SCHEMBL9337464

SCHEMBL9337464

CC#Cc1ccc(-c2ccc(-c3ccc(CCCCC)cc3)cc2F)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RARB P10826 10/20 0.54
RARA P10276 2/20 0.51
RARG P13631 1/20 0.51
HSD17B10 Q99714 2/20 0.49
TSHR P16473 1/20 0.49
MEN1 O00255 3/20 0.39
ALDH1A1 P00352 3/20 0.39
KMT2A Q03164 3/20 0.39
MAPT P10636 2/20 0.39
MTOR P42345 1/20 0.39
HTR2A P28223 1/20 0.39
USP2 O75604 2/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
KDM4E B2RXH2 1/20 0.37
GAA P10253 1/20 0.37
HPGD P15428 1/20 0.37
RAB9A P51151 1/20 0.37
HRH3 Q9Y5N1 1/20 0.37
CYP1A1 P04798 1/20 0.37
CYP1A2 P05177 1/20 0.37

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
SCHEMBL9335534 1.00 RARB (0.54) RARBRARARARGHSD17B10TSHR
SCHEMBL9336889 0.94 RARB (0.52) RARBRARARARGHSD17B10TSHR
SCHEMBL9333963 0.92 RARB (0.56) RARBRARARARGHSD17B10TSHR
SCHEMBL9337526 0.91 RARB (0.42) RARBRARARARGHSD17B10TSHR
SCHEMBL9334310 0.90 RARB (0.47) RARBRARARARGHSD17B10TSHR
SCHEMBL14175167 0.88 RARB (0.66) RARBRARARARGHSD17B10TSHR
SCHEMBL9333976 0.87 HSD17B10 (0.50) RARBRARARARGHSD17B10TSHR
SCHEMBL14175166 0.86 RARB (0.64) RARBRARARARGHSD17B10TSHR
SCHEMBL14175164 0.86 RARB (0.64) RARBRARARARGHSD17B10TSHR
SCHEMBL13310852 0.86 RARB (0.68) RARBRARARARGHSD17B10TSHR

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-5328637-A Electrooptical devices; deformation of aligned phases and supertwisted nematic applications; miscibility, solubility HOFFMANN-LA ROCHE INC. (US) 1994-07-12 US disclosed