SCHEMBL9399863

SCHEMBL9399863

CCCCC[C@H]1CC[C@H](c2ccc(CCc3ccc(OCCCC)cc3C)c(C)c2)CC1

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 8/20 0.39
CNR1 P21554 5/20 0.38
RAB9A P51151 1/20 0.37
HTR1A P08908 1/20 0.35
HTR1D P28221 1/20 0.35
HTR1B P28222 1/20 0.35
CYP2C9 P11712 1/20 0.35
HRH3 Q9Y5N1 1/20 0.35
LMNA P02545 1/20 0.35
ITGB3 P05106 1/20 0.35
ITGA2B P08514 1/20 0.35
SPHK1 Q9NYA1 1/20 0.34
CRBN Q96SW2 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
SCHEMBL9398834 0.92 SPHK1 (0.40) RAB9ALMNAITGB3ITGA2BSPHK1
SCHEMBL9399773 0.88 CNR2 (0.43) CNR2CNR1HTR1AHTR1DHTR1B
SCHEMBL9398656 0.87 CNR2 (0.45) CNR2CNR1HTR1AHTR1DHTR1B
SCHEMBL9399734 0.86 SPHK1 (0.43) CYP2C9LMNASPHK1
SCHEMBL19722327 0.86 SPHK1 (0.40) CYP2C9LMNASPHK1
SCHEMBL9398783 0.85 CNR2 (0.47) CNR2CNR1HTR1AHTR1DHTR1B
SCHEMBL9399835 0.85 CNR2 (0.47) CNR2CNR1HTR1AHTR1DHTR1B
SCHEMBL9398806 0.85 SPHK1 (0.45) CYP2C9SPHK1
SCHEMBL9398581 0.85 SPHK1 (0.45) CYP2C9SPHK1
SCHEMBL9398743 0.85 SPHK1 (0.45) CYP2C9SPHK1

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