SCHEMBL9399494

SCHEMBL9399494

CCCCCCCCC[C@H]1CC[C@H](c2ccc(-c3ccc([C@H]4CC[C@H](CCC)CC4)c(C)c3)cc2C)CC1

nearest known ligand 0.42

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.42
GAA P10253 2/20 0.42
OPRL1 P41146 8/20 0.41
NOTUM Q6P988 1/20 0.39
CYP2C9 P11712 1/20 0.36
MEN1 O00255 3/20 0.36
KMT2A Q03164 3/20 0.36
MAPK1 P28482 2/20 0.35
ALDH1A1 P00352 1/20 0.35
LMNA P02545 1/20 0.35
RARB P10826 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
SCHEMBL9399878 0.97 GAA (0.43) MAPTGAAOPRL1NOTUMMEN1
SCHEMBL9399684 0.94 CYP2C9 (0.43) MAPTGAAOPRL1NOTUMCYP2C9
SCHEMBL9398712 0.94 CYP2C9 (0.43) MAPTGAAOPRL1NOTUMCYP2C9
SCHEMBL9398855 0.91 OPRL1 (0.47) MAPTOPRL1NOTUMCYP2C9MEN1
SCHEMBL9399358 0.91 SPHK1 (0.40) MAPTGAAOPRL1NOTUMCYP2C9
SCHEMBL9398613 0.88 CYP2C9 (0.44) MAPTGAAOPRL1CYP2C9MEN1
SCHEMBL9399113 0.88 CYP2C9 (0.44) MAPTGAAOPRL1CYP2C9MEN1
SCHEMBL9398772 0.87 OPRL1 (0.39) MAPTGAAOPRL1NOTUMMEN1
SCHEMBL9398696 0.87 RARB (0.47) MAPTOPRL1MEN1KMT2AALDH1A1
SCHEMBL9398725 0.87 CYP2C9 (0.38) MAPTGAAOPRL1NOTUMCYP2C9

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-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-A1 Liquid crystal mixtures MERCK PATENT GmbH (DE) 1983-07-27 EP disclosed