SCHEMBL14030486

SCHEMBL14030486

CCCc1ccc(-c2ccc(C3CCC(O)CC3)cc2)cc1

nearest known ligand 0.50

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
ESR2 Q92731 2/20 0.50
SPHK1 Q9NYA1 14/20 0.49
SPHK2 Q9NRA0 7/20 0.43
P2RY14 Q15391 1/20 0.42

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
SCHEMBL10883245 0.95 ESR2 (0.55) ESR2SPHK1SPHK2
SCHEMBL10883240 0.95 ESR2 (0.55) ESR2SPHK1SPHK2
SCHEMBL6746557 0.90 ESR2 (0.50) ESR2SPHK1SPHK2
SCHEMBL9291821 0.88 SPHK1 (0.67) SPHK1SPHK2
SCHEMBL9291825 0.88 SPHK1 (0.67) SPHK1SPHK2
SCHEMBL4323763 0.86 SPHK1 (0.61) SPHK1SPHK2
SCHEMBL11828165 0.85 SPHK1 (0.62) ESR2SPHK1SPHK2
SCHEMBL11287625 0.85 SPHK1 (0.50) ESR2SPHK1SPHK2P2RY14
SCHEMBL9442574 0.84 ESR2 (0.56) ESR2SPHK1SPHK2
SCHEMBL9442573 0.84 ESR2 (0.56) ESR2SPHK1SPHK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7442418-B2 Polymerizable liquid crystal compound, liquid crystal composition, optical anisotropic material and optical element ASAHI GLASS COMPANY, LIMITED (JP) 2008-10-28 US disclosed
US-7442418-B2 Polymerizable liquid crystal compound, liquid crystal composition, optical anisotropic material and optical element ASAHI GLASS COMPANY, LIMITED (JP) 2008-10-28 US disclosed
US-20070104894-A1 POLYMERIZABLE LIQUID CRYSTAL COMPOUND, LIQUID CRYSTAL COMPOSITION, OPTICAL ANISOTROPIC MATERIAL AND OPTICAL ELEMENT ASAHI GLASS CO., LTD. (JP) 2007-05-10 US disclosed