SCHEMBL9665285

SCHEMBL9665285

CCCCCc1ccc(CCc2ccc(-c3ccc([C@H]4CC[C@H](CCCCC)CC4)cc3F)cc2)cc1

nearest known ligand 0.49

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
RARB P10826 3/20 0.49
SPHK1 Q9NYA1 13/20 0.47
SPHK2 Q9NRA0 7/20 0.42
RARA P10276 1/20 0.39
RARG P13631 1/20 0.39
FFAR4 Q5NUL3 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
SCHEMBL10945641 0.99 RARB (0.50) RARBSPHK1SPHK2RARARARG
SCHEMBL10945649 0.99 RARB (0.50) RARBSPHK1SPHK2RARARARG
SCHEMBL9664858 0.98 RARB (0.46) RARBSPHK1SPHK2RARARARG
SCHEMBL9663379 0.98 RARB (0.49) RARBSPHK1SPHK2RARARARG
SCHEMBL10943636 0.95 RARB (0.49) RARBSPHK1SPHK2RARARARG
SCHEMBL10943630 0.95 RARB (0.49) RARBSPHK1SPHK2RARARARG
SCHEMBL9662921 0.95 RARB (0.44) RARBSPHK1SPHK2FFAR4
SCHEMBL9665276 0.94 RARB (0.43) RARBSPHK1SPHK2FFAR4
SCHEMBL8411106 0.94 RARB (0.43) RARBSPHK1SPHK2FFAR4
SCHEMBL8411100 0.94 RARB (0.43) RARBSPHK1SPHK2FFAR4

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