SCHEMBL6166681

SCHEMBL6166681

Cc1cc(CBr)ccc1C=CC(=O)O

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 2/20 0.50
EGFR P00533 1/20 0.46
MIF P14174 1/20 0.41
KDM4E B2RXH2 2/20 0.41
ALDH1A1 P00352 2/20 0.41
GAA P10253 2/20 0.41
PTGER3 P43115 4/20 0.40
PTGER2 P43116 4/20 0.40
TBXA2R P21731 3/20 0.40
PTGDR Q13258 3/20 0.40
PTGER4 P35408 3/20 0.40
PTGFR P43088 2/20 0.40
PPARD Q03181 2/20 0.40
EIF2AK2 P19525 1/20 0.40
CSNK2A2 P19784 1/20 0.40
CSNK2B P67870 1/20 0.40
CSNK2A1 P68400 1/20 0.40
PTGER1 P34995 2/20 0.40
PTGIR P43119 1/20 0.40
ITGB3 P05106 1/20 0.39

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
SCHEMBL6166674 1.00 ESR1 (0.50) ESR1EGFRMIFKDM4EALDH1A1
SCHEMBL9613260 0.85 ESR1 (0.55) ESR1EGFRMIFKDM4EALDH1A1
SCHEMBL6167022 0.85 EGFR (0.64) ESR1EGFRMIFKDM4EALDH1A1
SCHEMBL6167026 0.85 EGFR (0.64) ESR1EGFRMIFKDM4EALDH1A1
SCHEMBL5860647 0.82 ESR1 (0.55) ESR1CA1CA2
SCHEMBL4410110 0.81 MIF (0.61) ESR1EGFRMIFKDM4EALDH1A1
SCHEMBL4410113 0.81 MIF (0.61) ESR1EGFRMIFKDM4EALDH1A1
SCHEMBL17748395 0.80 ESR1 (0.47) ESR1EGFRMIFKDM4EALDH1A1
SCHEMBL17748398 0.80 ESR1 (0.47) ESR1EGFRMIFKDM4EALDH1A1
SCHEMBL4714044 0.78 ESR1 (0.50) ESR1MIFKDM4EALDH1A1GAA

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-1392674-B1 FURAN AND THIOPHENE DERIVATIVES THAT ACTIVATE HUMAN PEROXISOME PROLIFERATOR ACTIVATED RECEPTORS SMITHKLINE BEECHAM CORP (US) 2005-08-10 EP disclosed
EP-1392674-A1 FURAN AND THIOPHENE DERIVATIVES THAT ACTIVATE HUMAN PEROXISOME PROLIFERATOR ACTIVATED RECEPTORS GLAXO GROUP LIMITED (GB) 2004-03-03 EP disclosed
WO-2002092590-A1 FURAN AND THIOPHENE DERIVATIVES THAT ACTIVATE HUMAN PEROXISOME PROLIFERATOR ACTIVATED RECEPTORS GLAXO GROUP LIMITED (GB) 2002-11-21 WO disclosed