SCHEMBL9664146

SCHEMBL9664146

CCCCc1ccc(-c2ccc(CCc3ccc(CCC)cc3)cc2)c(F)c1

nearest known ligand 0.57

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
RARB P10826 5/20 0.57
RARA P10276 1/20 0.43
RARG P13631 1/20 0.43
MPL P40238 3/20 0.42
S1PR1 P21453 2/20 0.40
S1PR3 Q99500 2/20 0.40
SKP2 Q13309 1/20 0.40
FDFT1 P37268 1/20 0.40
PSMB5 P28074 1/20 0.40
HTR2A P28223 1/20 0.40
CNR1 P21554 1/20 0.40
CNR2 P34972 1/20 0.40
CHKA P35790 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
SCHEMBL9665329 1.00 RARB (0.57) RARBRARARARGMPLS1PR1
SCHEMBL9663518 1.00 RARB (0.57) RARBRARARARGMPLS1PR1
SCHEMBL10975803 0.98 RARB (0.58) RARBRARARARGMPLS1PR1
SCHEMBL10978118 0.98 RARB (0.58) RARBRARARARGMPLS1PR1
SCHEMBL9662908 0.97 RARB (0.59) RARBRARARARGMPLS1PR1
SCHEMBL9664131 0.95 RARB (0.63) RARBRARARARGHTR2A
SCHEMBL9664978 0.95 RARB (0.63) RARBRARARARGHTR2A
SCHEMBL8376944 0.95 RARB (0.63) RARBRARARARGHTR2A
SCHEMBL8379987 0.95 RARB (0.63) RARBRARARARGHTR2A
SCHEMBL26044950 0.95 RARB (0.56) RARBRARARARGMPLS1PR1

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
US-5093026-A Liquid crystals MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1992-03-03 US disclosed
WO-1990008756-A1 DIPHENYLETHANES MERCK Patent Gesellschaft mit beschränkter Haftung (DE) 1990-08-09 WO disclosed