SCHEMBL9399141

SCHEMBL9399141

CCCCC[C@H]1CC[C@H](c2ccc(CCc3ccc(OCCCC)cc3C)cc2C)CC1

nearest known ligand 0.37

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
FFAR4 Q5NUL3 1/20 0.37
CNR2 P34972 8/20 0.37
ITGB3 P05106 2/20 0.36
ITGA2B P08514 2/20 0.36
OPRL1 P41146 4/20 0.36
CNR1 P21554 5/20 0.36
ACACB O00763 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
SCHEMBL9399580 0.90 ITGB3 (0.41) FFAR4ITGB3ITGA2BOPRL1
SCHEMBL9433362 0.89 SPHK1 (0.38) FFAR4ITGB3ITGA2BOPRL1
SCHEMBL9433861 0.88 OPRL1 (0.38) FFAR4ITGB3ITGA2BOPRL1
SCHEMBL9399172 0.88 OPRL1 (0.43) CNR2ITGB3ITGA2BOPRL1ACACB
SCHEMBL9398746 0.87 OPRL1 (0.43) CNR2ITGB3ITGA2BOPRL1CNR1
SCHEMBL9399369 0.85 TSHR (0.43) CNR2ITGB3ITGA2BOPRL1CNR1
SCHEMBL9399496 0.85 TSHR (0.43) CNR2ITGB3ITGA2BOPRL1CNR1
SCHEMBL9432911 0.85 KMT2A (0.40) FFAR4CNR2ITGB3ITGA2BCNR1
SCHEMBL9399008 0.85 HPGD (0.40) OPRL1
SCHEMBL9399863 0.84 CNR2 (0.39) CNR2ITGB3ITGA2BCNR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5338483-A Anisotropic compounds having nematic phase and liquid crystal mixtures MERCK PATENT GMBH (DE) 1994-08-16 US disclosed
US-5310501-A Anisotropic compounds having Nematic phase and liquid crystal mixtures MERCK PATENT GMBH (DE) 1994-05-10 US disclosed
US-5227484-A ANISOTROPIC COMPOUNDS HAVING NEMATIC PHASE AND LIQUID CRYSTAL MIXTURES MERCK PATENT GMBH (DE) 1993-07-13 US disclosed
US-5179101-A Anisotropic compounds having nematic phase and liquid crystal mixtures MERCK PATENT GMBH (DE) 1993-01-12 US disclosed
US-4808333-A Anisotropic compounds having nematic phase and liquid crystal mixtures MERCK PATENT GMBH (DE) 1989-02-28 US disclosed
EP-0084194-B1 LIQUID CRYSTAL MIXTURES MERCK PATENT GmbH (DE) 1986-04-30 EP disclosed
EP-0084194-A1 Liquid crystal mixtures MERCK PATENT GmbH (DE) 1983-07-27 EP disclosed