SCHEMBL7731090

SCHEMBL7731090

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

nearest known ligand 0.49

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
MCL1 Q07820 1/20 0.49
LTB4R2 Q9NPC1 7/20 0.46
PPARG P37231 4/20 0.45
BRS3 P32247 2/20 0.45
AGTR1 P30556 1/20 0.44

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
SCHEMBL29760459 0.85 HNF4A (0.52) LTB4R2
SCHEMBL3230323 0.82 LTB4R2 (0.63) LTB4R2PPARGBRS3AGTR1
SCHEMBL25146615 0.81 MCL1 (0.52) MCL1LTB4R2PPARGBRS3AGTR1
SCHEMBL7722704 0.81 MCL1 (0.52) MCL1LTB4R2PPARGBRS3AGTR1
SCHEMBL5268526 0.80 HNF4A (0.59)
SCHEMBL10902221 0.80 LTB4R2 (0.60) MCL1LTB4R2PPARGBRS3AGTR1
SCHEMBL30129062 0.79 HNF4A (0.51) MCL1LTB4R2PPARGBRS3AGTR1
SCHEMBL7729718 0.77 MCL1 (0.58) MCL1LTB4R2
SCHEMBL28225124 0.76 FOLH1 (0.46) MCL1PPARG
SCHEMBL7731088 0.75 MCL1 (0.52) MCL1LTB4R2PPARGBRS3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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