SCHEMBL9399956

SCHEMBL9399956

CCCCC[C@H]1CC[C@H](COc2cnc(-c3ccc(OC(=O)CC)c(F)c3)nc2)CC1

nearest known ligand 0.39

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
FFAR4 Q5NUL3 5/20 0.39
XDH P47989 2/20 0.38
PPARD Q03181 4/20 0.36
FFAR1 O14842 3/20 0.36
PPARA Q07869 1/20 0.35
PDE4A P27815 2/20 0.35
PDE4B Q07343 2/20 0.35
PDE4C Q08493 2/20 0.35
PDE4D Q08499 2/20 0.35
GPR119 Q8TDV5 3/20 0.34
MET P08581 1/20 0.34
ACACB O00763 1/20 0.34
GRM2 Q14416 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
SCHEMBL9399949 1.00 FFAR4 (0.39) FFAR4XDHPPARDFFAR1PPARA
SCHEMBL9398752 0.89 XDH (0.38) XDHPDE4BGRM2
SCHEMBL9399512 0.89 GRM2 (0.43) XDHPDE4APDE4BPDE4CPDE4D
SCHEMBL9399517 0.89 GRM2 (0.43) XDHPDE4APDE4BPDE4CPDE4D
SCHEMBL9398761 0.89 XDH (0.38) XDHPDE4BGRM2
SCHEMBL9398787 0.89 ACACB (0.38) FFAR4XDHACACB
SCHEMBL9398776 0.89 ACACB (0.38) FFAR4XDHACACB
SCHEMBL9398818 0.88 RARB (0.40) FFAR4ACACB
SCHEMBL9398811 0.88 RARB (0.40) FFAR4ACACB
SCHEMBL9398822 0.87 XDH (0.51) XDH

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