SCHEMBL6167022

SCHEMBL6167022

Cc1cc(CO)ccc1/C=C/C(=O)O

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGFR P00533 1/20 0.64
ESR1 P03372 2/20 0.51
MIF P14174 1/20 0.42
KDM4E B2RXH2 2/20 0.42
ALDH1A1 P00352 2/20 0.42
GAA P10253 2/20 0.42
TBXA2R P21731 3/20 0.41
PTGER3 P43115 3/20 0.41
PTGER2 P43116 3/20 0.41
PTGDR Q13258 3/20 0.41
PTGER4 P35408 2/20 0.41
PTGFR P43088 2/20 0.41
AKR1C3 P42330 1/20 0.41
AKR1C2 P52895 1/20 0.41
PTGER1 P34995 1/20 0.40
PTGIR P43119 1/20 0.40
PDCD1 Q15116 2/20 0.40
CD274 Q9NZQ7 2/20 0.40
ITGB3 P05106 1/20 0.40
ITGB1 P05556 1/20 0.40

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
SCHEMBL6167026 1.00 EGFR (0.64) EGFRESR1MIFKDM4EALDH1A1
SCHEMBL9613260 0.87 ESR1 (0.55) EGFRESR1MIFKDM4EALDH1A1
SCHEMBL6166681 0.85 ESR1 (0.50) EGFRESR1MIFKDM4EALDH1A1
SCHEMBL6166674 0.85 ESR1 (0.50) EGFRESR1MIFKDM4EALDH1A1
SCHEMBL13176475 0.84 EGFR (0.47) EGFRESR1KDM4EPDCD1CD274
SCHEMBL3916081 0.83 ALDH1A1 (0.48) EGFRESR1KDM4EALDH1A1AKR1C3
SCHEMBL3916083 0.83 ALDH1A1 (0.48) EGFRESR1KDM4EALDH1A1AKR1C3
SCHEMBL17748395 0.81 ESR1 (0.47) EGFRESR1MIFKDM4EALDH1A1
SCHEMBL5861799 0.81 ESR1 (0.56) EGFRESR1CA1CA2
SCHEMBL17748398 0.81 ESR1 (0.47) EGFRESR1MIFKDM4EALDH1A1

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