SCHEMBL9399424

SCHEMBL9399424

CCCCCCCCC[C@H]1CC[C@H](COc2ccc([C@H]3CC[C@H](CCCCCCCCC)CC3)c(C)c2)CC1

nearest known ligand 0.43

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ACACB O00763 1/20 0.43
OPRL1 P41146 6/20 0.41
GAA P10253 1/20 0.37
MAPT P10636 1/20 0.37
FFAR1 O14842 9/20 0.37
PARP15 Q460N3 1/20 0.36
PARP10 Q53GL7 1/20 0.36
BRD4 O60885 1/20 0.35
CREBBP Q92793 1/20 0.35

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
SCHEMBL9399097 0.98 ACACB (0.42) ACACBOPRL1GAAMAPTFFAR1
SCHEMBL9398578 0.98 ACACB (0.42) ACACBOPRL1GAAMAPTFFAR1
SCHEMBL9398746 0.92 OPRL1 (0.43) ACACBOPRL1GAAMAPT
SCHEMBL9399496 0.91 TSHR (0.43) ACACBOPRL1
SCHEMBL9399369 0.91 TSHR (0.43) ACACBOPRL1
SCHEMBL9399172 0.91 OPRL1 (0.43) ACACBOPRL1
SCHEMBL9398651 0.90 ACACB (0.46) ACACBOPRL1FFAR1PARP15PARP10
SCHEMBL9399960 0.82 ESR1 (0.43) PARP15PARP10
SCHEMBL9399445 0.81 CYP2D6 (0.40) OPRL1
SCHEMBL9399878 0.81 GAA (0.43) OPRL1GAAMAPT

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