SCHEMBL9124809

SCHEMBL9124809

CCCCCc1cccc(-c2ccccc2-c2cccc(C(C)=O)c2)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LPL P06858 2/20 0.44
LIPG Q9Y5X9 2/20 0.44
LMNA P02545 2/20 0.44
MEN1 O00255 1/20 0.44
ALDH1A1 P00352 1/20 0.44
MAPT P10636 1/20 0.44
HTT P42858 1/20 0.44
KMT2A Q03164 1/20 0.44
PPARG P37231 3/20 0.44
PPARA Q07869 3/20 0.44
CTSS P25774 1/20 0.43
CTSK P43235 1/20 0.43
PTGER1 P34995 1/20 0.42
CHEK1 O14757 1/20 0.42
SPHK2 Q9NRA0 1/20 0.42
SPHK1 Q9NYA1 1/20 0.42
PTPN11 Q06124 1/20 0.42
MAOB P27338 1/20 0.42
RARB P10826 1/20 0.41
HPGD P15428 1/20 0.41

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
SCHEMBL9124440 0.99 PPARG (0.46) LPLLIPGLMNAMEN1ALDH1A1
SCHEMBL755940 0.85 LPL (0.54) LPLLIPGLMNAMEN1ALDH1A1
SCHEMBL27841873 0.84 LPL (0.55) LPLLIPGPPARGPPARASPHK2
SCHEMBL11434969 0.84 LPL (0.55) LPLLIPGPPARGPPARASPHK2
SCHEMBL26073777 0.82 RARB (0.55) LPLLIPGMEN1ALDH1A1MAPT
SCHEMBL8341269 0.81 CYP4F2 (0.53) LPLLIPGLMNAMEN1ALDH1A1
SCHEMBL28400225 0.81 HTR7 (0.53) LPLLIPG
Phosphine SCHEMBL27453591 0.80 LPL (0.50) LPLLIPGPPARGPPARA
SCHEMBL2456422 0.79 S100A4 (0.55) MEN1ALDH1A1MAPTKMT2APTGER1
SCHEMBL1449798 0.77 MAPT (0.53) MEN1MAPTKMT2APTGER1CHEK1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5447659-A Hydrolysis of the ester derivative with esterase to form the alcohol SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1995-09-05 US disclosed
US-5338484-A Optically active benzene derivatives, process for producing the same and liquid-crystalline substances containing said derivatives as active ingredient and optical switching elements SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1994-08-16 US disclosed
US-5274168-A Optically active benzene derivatives, process for producing the same and liquid-crystalline substances containing said derivatives as active ingredient and optical switching elements SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1993-12-28 US disclosed
US-5002693-A Novel optically active benzene derivatives, process for producing the same and liquid-crystalline substances containing said derivatives as active ingredient and optical switching elements SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1991-03-26 US disclosed