SCHEMBL7761135

SCHEMBL7761135

CCCc1ccc(-c2ccc(C3CCC(F)CC3)cc2)c(F)c1F

nearest known ligand 0.40

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CTSL P07711 1/20 0.36
CTSS P25774 1/20 0.36
CTSK P43235 1/20 0.36
FFAR4 Q5NUL3 2/20 0.35
SPHK1 Q9NYA1 6/20 0.33
CHKA P35790 1/20 0.33
CYP2C9 P11712 3/20 0.32
CYP3A4 P08684 3/20 0.32
APP P05067 2/20 0.32
CYP2D6 P10635 1/20 0.31
CYP2C19 P33261 1/20 0.31

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
SCHEMBL7763778 0.92 SPHK1 (0.37) FFAR4SPHK1CHKA
SCHEMBL7766082 0.91 SPHK1 (0.42) FFAR4SPHK1
SCHEMBL7764646 0.90 SPHK1 (0.44) FFAR4SPHK1CYP3A4
SCHEMBL7768268 0.90 SPHK1 (0.44) FFAR4SPHK1CYP3A4
SCHEMBL7766265 0.90 SPHK1 (0.44) FFAR4SPHK1CYP3A4
SCHEMBL7766115 0.90 SPHK1 (0.44) FFAR4SPHK1CYP3A4
SCHEMBL7761160 0.90 SPHK1 (0.44) FFAR4SPHK1CYP3A4
SCHEMBL7764931 0.90 SPHK1 (0.44) FFAR4SPHK1CYP3A4
SCHEMBL7765179 0.90 SPHK1 (0.44) FFAR4SPHK1CYP3A4
SCHEMBL18511927 0.89 ESR2 (0.41) CTSLCTSSCTSKFFAR4SPHK1

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