SCHEMBL20111097

SCHEMBL20111097

CCCCCc1ccc(-c2ccc(-c3ccc(C4CCC(C)CC4)cc3)c(F)c2)cc1

nearest known ligand 0.51

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
SPHK1 Q9NYA1 13/20 0.51
RARB P10826 3/20 0.50
RARA P10276 1/20 0.47
RARG P13631 1/20 0.47
SPHK2 Q9NRA0 7/20 0.46
FFAR4 Q5NUL3 1/20 0.40
FASN P49327 1/20 0.40

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
SCHEMBL17192522 0.96 SPHK1 (0.46) SPHK1RARBRARARARGSPHK2
SCHEMBL19844743 0.96 SPHK1 (0.46) SPHK1RARBRARARARGSPHK2
SCHEMBL13245999 0.92 FASN (0.42) SPHK1RARBRARARARGSPHK2
SCHEMBL16286047 0.92 FASN (0.42) SPHK1RARBRARARARGSPHK2
SCHEMBL21321778 0.88 SPHK1 (0.48) SPHK1RARBRARARARGSPHK2
SCHEMBL19702994 0.87 SPHK1 (0.47) SPHK1RARBRARARARGSPHK2
SCHEMBL16286046 0.87 FASN (0.43) SPHK1RARBFFAR4FASN
SCHEMBL12699139 0.87 FASN (0.43) SPHK1RARBFFAR4FASN
SCHEMBL17190571 0.86 SPHK1 (0.46) SPHK1RARBRARARARGSPHK2
SCHEMBL11274401 0.86 SPHK1 (0.66) SPHK1RARBSPHK2

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-20180119011-A1 LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY DEVICE THEREOF JIANGSU HECHENG DISPLAY TECHNOLOGY CO., LTD. (CN) 2018-05-03 US disclosed