SCHEMBL9398908

SCHEMBL9398908

CCCCCC1CCC(COc2ncc(-c3ccc(OCCCC)c(F)c3)cn2)CC1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FFAR4 Q5NUL3 3/20 0.43
TLR9 Q9NR96 3/20 0.41
TLR8 Q9NR97 3/20 0.41
TLR7 Q9NYK1 3/20 0.41
S1PR1 P21453 2/20 0.38
S1PR4 O95977 1/20 0.38
S1PR3 Q99500 1/20 0.38
S1PR5 Q9H228 1/20 0.38
HRH3 Q9Y5N1 2/20 0.37
GRIN1 Q05586 1/20 0.37
GRIN2B Q13224 1/20 0.37
PPARD Q03181 4/20 0.36
FFAR1 O14842 3/20 0.36
THRA P10827 1/20 0.35
THRB P10828 1/20 0.35
PPARA Q07869 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
RARA P10276 1/20 0.34
RARB P10826 1/20 0.34
DGAT1 O75907 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
SCHEMBL9398921 1.00 FFAR4 (0.43) FFAR4TLR9TLR8TLR7S1PR1
SCHEMBL9399101 0.87 CNR2 (0.35) FFAR4FFAR1RARARARB
SCHEMBL9399110 0.87 CNR2 (0.35) FFAR4FFAR1RARARARB
SCHEMBL9398972 0.87 THRA (0.35) S1PR1S1PR3THRATHRBTDP1
SCHEMBL9398967 0.87 THRA (0.35) S1PR1S1PR3THRATHRBTDP1
SCHEMBL9399624 0.87 GRM2 (0.45) FFAR4S1PR1PPARAGRM2
SCHEMBL9399633 0.87 GRM2 (0.45) FFAR4S1PR1PPARAGRM2
SCHEMBL9399703 0.86 FFAR4 (0.39) FFAR4TLR9TLR8TLR7GRIN1
SCHEMBL9399711 0.86 FFAR4 (0.39) FFAR4TLR9TLR8TLR7GRIN1
SCHEMBL9399841 0.86 TLR7 (0.43) FFAR4TLR9TLR8TLR7S1PR1

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