SCHEMBL2861280

SCHEMBL2861280

OCc1ccc(CO)c(-c2ccccc2)c1

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.46
PDCD1 Q15116 1/20 0.46
CD274 Q9NZQ7 1/20 0.46
BACE1 P56817 2/20 0.44
EGFR P00533 1/20 0.43
TTR P02766 1/20 0.42
CHEK1 O14757 1/20 0.41
LTA4H P09960 1/20 0.41
PRKCI P41743 1/20 0.40
FOLH1 Q04609 1/20 0.40
PTPN2 P17706 1/20 0.40
PTPN1 P18031 1/20 0.40
PTPN6 P29350 1/20 0.40
ENPP2 Q13822 1/20 0.39
CSNK2A1 P68400 2/20 0.39
CNR2 P34972 1/20 0.38

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
SCHEMBL4656062 0.84 LTB4R2 (0.44) TSHRPDCD1CD274BACE1EGFR
SCHEMBL28671699 0.83 CNR1 (0.50) PDCD1CD274BACE1CNR2
SCHEMBL2865461 0.83 TSHR (0.46) TSHRPDCD1CD274BACE1EGFR
SCHEMBL35774 0.83 TSHR (0.50) TSHRBACE1TTRCHEK1LTA4H
SCHEMBL2096544 0.81 PDCD1 (0.47) PDCD1CD274BACE1EGFRPTPN1
SCHEMBL5885833 0.80 PDCD1 (0.54) TSHRPDCD1CD274BACE1FOLH1
SCHEMBL14832169 0.79 BACE1 (0.68) TSHRBACE1TTRPTPN2PTPN1
SCHEMBL2046926 0.78 PDCD1 (0.57) TSHRPDCD1CD274BACE1FOLH1
SCHEMBL11445119 0.78 BACE1 (0.47) TSHRBACE1TTRLTA4HPRKCI
SCHEMBL2208511 0.78 ESR2 (0.46) TSHRPDCD1CD274BACE1TTR

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-7713449-B2 Polymer electrolytic material, polymer electrolytic part, membrane electrode assembly, and polymer electrolyte fuel cell TORAY INDUSTRIES, INC. (JP) 2010-05-11 US disclosed
CN-100364160-C Polymer electrolyte material, polymer electrolyte part, membrane electrode composite and polymer electrolyte type fuel cell TORAY INDUSTRIES (JP) 2008-01-23 CN disclosed
US-20060180796-A1 Polymer electrolyte material, polymer electrolyte part, membrane electrode composite and polymer electrolyte type fuel cell TORAY INDUSTRIES, INC. (JP) 2006-08-17 US disclosed
EP-1619735-A1 POLYMER ELECTROLYTE MATERIAL, POLYMER ELECTROLYTE PART, MEMBRANE ELECTRODE COMPOSITE AND POLYMER ELECTROLYTE TYPE FUEL CELL TORAY INDUSTRIES, INC. (JP) 2006-01-25 EP disclosed