SCHEMBL7722704

SCHEMBL7722704

CCCc1ccc(-c2cccc(C(=O)O)c2C(=O)O)cc1

nearest known ligand 0.52

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
MCL1 Q07820 1/20 0.52
LTB4R2 Q9NPC1 7/20 0.49
PPARG P37231 4/20 0.47
BRS3 P32247 2/20 0.47
AGTR1 P30556 1/20 0.47
PDE10A Q9Y233 1/20 0.47

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
SCHEMBL9665184 0.89 RARB (0.57) LTB4R2
SCHEMBL3230323 0.86 LTB4R2 (0.63) LTB4R2PPARGBRS3AGTR1
SCHEMBL25146615 0.85 MCL1 (0.52) MCL1LTB4R2PPARGBRS3AGTR1
SCHEMBL9550396 0.84 FOLH1 (0.48) LTB4R2BRS3
SCHEMBL1362671 0.83 HNF4A (0.57) LTB4R2
SCHEMBL10902221 0.83 LTB4R2 (0.60) MCL1LTB4R2PPARGBRS3AGTR1
SCHEMBL30129062 0.82 HNF4A (0.51) MCL1LTB4R2PPARGBRS3AGTR1
Propane SCHEMBL29152930 0.82 HNF4A (0.58) LTB4R2
Alcohol SCHEMBL28373236 0.82 HNF4A (0.58) LTB4R2
Butane SCHEMBL15005276 0.82 FOLH1 (0.49) MCL1

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
CN-1435444-A Casting compound based on thermosetting epoxy resin ABB RESEARCH LTD (CH) 2003-08-13 CN disclosed
EP-0786445-B1 DIFLUOROXYMETHANE DERIVATIVE AND LIQUID CRYSTAL COMPOSITION CHISSO CORP (JP) 2002-07-17 EP disclosed
US-5858270-A Difluorooxymethane derivative and liquid crystal composition CHISSO CORPORATION (JP) 1999-01-12 US disclosed
EP-0786445-A1 DIFLUOROXYMETHANE DERIVATIVE AND LIQUID CRYSTAL COMPOSITION CHISSO CORPORATION (JP) 1997-07-30 EP disclosed