SCHEMBL9399303

SCHEMBL9399303

CCCCCCCCC[C@H]1CC[C@H](CCc2ccc(-c3cnc(CCC)nc3)cc2C)CC1

nearest known ligand 0.34

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.34
MAPT P10636 1/20 0.34
GRIN2B Q13224 2/20 0.32
RARB P10826 1/20 0.32
ICMT O60725 3/20 0.31
LNPEP Q9UIQ6 3/20 0.31
CYP3A4 P08684 1/20 0.30
CYP2C8 P10632 1/20 0.30
CYP2D6 P10635 1/20 0.30
CYP2C9 P11712 1/20 0.30
CYP2C19 P33261 1/20 0.30
S1PR3 Q99500 1/20 0.30
CNR1 P21554 1/20 0.30
CNR2 P34972 1/20 0.30

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
SCHEMBL9399468 0.95 MAPT (0.34) GAAMAPTGRIN2BRARBLNPEP
SCHEMBL9398924 0.92 LNPEP (0.35) GAAMAPTGRIN2BRARBLNPEP
SCHEMBL9398920 0.92 LNPEP (0.35) GAAMAPTGRIN2BRARBLNPEP
SCHEMBL9399444 0.91 RARB (0.34) GAAMAPTGRIN2BRARBCNR1
SCHEMBL9398642 0.91 GRIN2B (0.34) GRIN2BCYP2C9CYP2C19
SCHEMBL9399336 0.88 MAPT (0.38) GAAMAPTRARBCYP3A4CYP2C8
SCHEMBL9398830 0.85 MAPT (0.37) GAAMAPTRARBCYP3A4CYP2C8
SCHEMBL9398691 0.84 RARB (0.37) GAAMAPTRARBLNPEPCYP3A4
SCHEMBL9399596 0.84 GRM2 (0.37) GAAMAPTGRIN2BCNR2
SCHEMBL9399565 0.83 RARB (0.41) GAAMAPTRARBLNPEPCYP3A4

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