SCHEMBL7766265

SCHEMBL7766265

CCCCCCCc1ccc(-c2ccc(C3CCC(F)CC3)cc2)c(F)c1F

nearest known ligand 0.45

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SPHK1 Q9NYA1 13/20 0.44
SPHK2 Q9NRA0 7/20 0.39
FFAR4 Q5NUL3 1/20 0.35
MEN1 O00255 1/20 0.34
TP53 P04637 1/20 0.34
CYP3A4 P08684 1/20 0.34
ALOX5 P09917 1/20 0.34
MAPT P10636 1/20 0.34
TYR P14679 1/20 0.34
ALOX15 P16050 1/20 0.34
TSHR P16473 1/20 0.34
HTT P42858 1/20 0.34
KMT2A Q03164 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
RARB P10826 1/20 0.34

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
SCHEMBL7764931 1.00 SPHK1 (0.44) SPHK1SPHK2FFAR4MEN1TP53
SCHEMBL7761160 1.00 SPHK1 (0.44) SPHK1SPHK2FFAR4MEN1TP53
SCHEMBL7764646 1.00 SPHK1 (0.44) SPHK1SPHK2FFAR4MEN1TP53
SCHEMBL7765179 1.00 SPHK1 (0.44) SPHK1SPHK2FFAR4MEN1TP53
SCHEMBL7768268 1.00 SPHK1 (0.44) SPHK1SPHK2FFAR4MEN1TP53
SCHEMBL7766115 1.00 SPHK1 (0.44) SPHK1SPHK2FFAR4MEN1TP53
SCHEMBL7766082 0.99 SPHK1 (0.42) SPHK1SPHK2FFAR4RARB
SCHEMBL7763778 0.95 SPHK1 (0.37) SPHK1SPHK2FFAR4
SCHEMBL7761135 0.90 CTSL (0.36) SPHK1FFAR4CYP3A4
SCHEMBL9406065 0.88 SPHK1 (0.42) SPHK1SPHK2MAPT

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0781827-B1 Liquid crystal mixture and liquid crystal device comprising the same SUMITOMO CHEMICAL CO (JP) 2001-06-13 EP disclosed
US-6149837-A SUBSTITUTED 1,4-BIS(SUBSTITUED PHENYLACETYLENE)BENZENE WHERE AT LEAST ONE RING HAS AN ALKYL ATTACHMENT, HAS A LARGE ANISOTROPY OF REFRACTIVE INDEX, TENDS TO BE MIXED WITH OTHER LIQUID CRYSTALS, IS LIGHT STABLE; LIQUID CRYSTAL ELEMENT SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2000-11-21 US disclosed
US-5866035-A LARGE BIREFRINGENCE SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1999-02-02 US disclosed
EP-0781827-A1 Liquid crystal mixture and liquid crystal device comprising the same SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1997-07-02 EP disclosed