SCHEMBL17192522

SCHEMBL17192522

CCCCc1ccc(-c2ccc(-c3ccc(C4CCC(C)CC4)cc3)cc2F)cc1

nearest known ligand 0.46

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
SPHK1 Q9NYA1 13/20 0.46
RARB P10826 3/20 0.46
RARA P10276 1/20 0.43
RARG P13631 1/20 0.43
SPHK2 Q9NRA0 7/20 0.41
FFAR4 Q5NUL3 1/20 0.41
FASN P49327 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
SCHEMBL19844743 1.00 SPHK1 (0.46) SPHK1RARBRARARARGSPHK2
SCHEMBL20111097 0.96 SPHK1 (0.51) SPHK1RARBRARARARGSPHK2
SCHEMBL16286047 0.93 FASN (0.42) SPHK1RARBRARARARGSPHK2
SCHEMBL13245999 0.93 FASN (0.42) SPHK1RARBRARARARGSPHK2
SCHEMBL21902218 0.89 SPHK1 (0.45) SPHK1RARBRARARARGSPHK2
SCHEMBL20118300 0.89 SPHK1 (0.45) SPHK1RARBRARARARGSPHK2
SCHEMBL21902220 0.88 SPHK1 (0.44) SPHK1RARBRARARARGSPHK2
SCHEMBL20118301 0.88 SPHK1 (0.44) SPHK1RARBRARARARGSPHK2
SCHEMBL19850833 0.88 SPHK1 (0.44) SPHK1RARBRARARARGSPHK2
SCHEMBL21902221 0.88 SPHK1 (0.44) SPHK1RARBRARARARGSPHK2

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-20150315473-A1 LIQUID-CRYSTALLINE MEDIUM MERCK PATENT GMBH (DE) 2015-11-05 US disclosed
US-20150299577-A1 LIQUID-CRYSTALLINE MEDIUM MERCK PATENT GMBH (DE) 2015-10-22 US disclosed