SCHEMBL9399773

SCHEMBL9399773

CCCCC[C@H]1CC[C@H](CCc2ccc(OCCCC)cc2C)CC1

nearest known ligand 0.43

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 10/20 0.43
CNR1 P21554 5/20 0.42
HTR1A P08908 3/20 0.39
HTR1D P28221 3/20 0.39
HTR1B P28222 3/20 0.39
ITGB3 P05106 2/20 0.38
ITGA2B P08514 2/20 0.38
THRA P10827 1/20 0.38
THRB P10828 1/20 0.38
PTGES O14684 1/20 0.36
ALOX5 P09917 1/20 0.36

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
SCHEMBL9398656 0.99 CNR2 (0.45) CNR2CNR1HTR1AHTR1DHTR1B
SCHEMBL9398783 0.97 CNR2 (0.47) CNR2CNR1HTR1AHTR1DHTR1B
SCHEMBL9399835 0.97 CNR2 (0.47) CNR2CNR1HTR1AHTR1DHTR1B
SCHEMBL9399863 0.88 CNR2 (0.39) CNR2CNR1HTR1AHTR1DHTR1B
SCHEMBL9399102 0.87 CNR2 (0.42) CNR2CNR1
SCHEMBL10707901 0.86 CNR2 (0.46) CNR2CNR1HTR1AHTR1DHTR1B
SCHEMBL10708963 0.85 CNR2 (0.47) CNR2CNR1HTR1AHTR1DHTR1B
SCHEMBL10709360 0.85 CNR2 (0.47) CNR2CNR1HTR1AHTR1DHTR1B
SCHEMBL10709101 0.84 CNR2 (0.44) CNR2CNR1HTR1AHTR1DHTR1B
SCHEMBL10710070 0.84 CNR2 (0.49) CNR2CNR1HTR1AHTR1DHTR1B

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 8 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-5047170-A Anisotropic compounds having nematic phase and liquid crystal mixtures MERCK PATENT GMBH (DE) 1991-09-10 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