SCHEMBL9399684

SCHEMBL9399684

CCCCCCCCC[C@H]1CC[C@H](c2ccc(-c3ccc([C@H]4CC[C@H](CCC)CC4)cc3)cc2C)CC1

nearest known ligand 0.44

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CYP2C9 P11712 1/20 0.43
MAPT P10636 2/20 0.41
ALDH1A1 P00352 1/20 0.41
LMNA P02545 1/20 0.41
MEN1 O00255 1/20 0.41
MAPK1 P28482 1/20 0.41
KMT2A Q03164 1/20 0.41
SPHK1 Q9NYA1 7/20 0.39
GAA P10253 1/20 0.38
OPRL1 P41146 5/20 0.38
DGAT1 O75907 1/20 0.36
NOTUM Q6P988 1/20 0.35
SPHK2 Q9NRA0 3/20 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
SCHEMBL9398712 1.00 CYP2C9 (0.43) CYP2C9MAPTALDH1A1LMNAMEN1
SCHEMBL9399358 0.97 SPHK1 (0.40) CYP2C9MAPTALDH1A1LMNAMEN1
SCHEMBL9399494 0.94 MAPT (0.42) CYP2C9MAPTALDH1A1LMNAMEN1
SCHEMBL9399058 0.92 CYP2C9 (0.49) CYP2C9MAPTALDH1A1LMNAMEN1
SCHEMBL9399878 0.91 GAA (0.43) MAPTMEN1MAPK1KMT2AGAA
SCHEMBL9398613 0.90 CYP2C9 (0.44) CYP2C9MAPTALDH1A1LMNAMEN1
SCHEMBL9399113 0.90 CYP2C9 (0.44) CYP2C9MAPTALDH1A1LMNAMEN1
SCHEMBL9398725 0.89 CYP2C9 (0.38) CYP2C9MAPTALDH1A1LMNAMEN1
SCHEMBL9399687 0.89 CYP2C9 (0.38) CYP2C9MAPTALDH1A1LMNAMEN1
SCHEMBL9399342 0.87 OPRL1 (0.42) CYP2C9MAPTALDH1A1LMNAMEN1

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