SCHEMBL2862508

SCHEMBL2862508

CC(O)Cc1ccccc1-c1cccc(O)c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGER1 P34995 2/20 0.45
PTGER4 P35408 2/20 0.45
PTGER3 P43115 2/20 0.45
PTGER2 P43116 2/20 0.45
KMT2A Q03164 1/20 0.44
HSD17B1 P14061 6/20 0.41
HSD17B2 P37059 6/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2C9 P11712 1/20 0.41
ABCB1 P08183 1/20 0.41
ADRA2A P08913 3/20 0.40
ADRA2B P18089 3/20 0.40
ADRA2C P18825 3/20 0.40
AKR1C3 P42330 1/20 0.40
AKR1C2 P52895 1/20 0.40
BAZ2B Q9UIF8 1/20 0.38
BAZ2A Q9UIF9 1/20 0.38
GABRA1 P14867 2/20 0.38
GABRB2 P47870 2/20 0.38
PDCD1 Q15116 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
SCHEMBL2857399 0.84 KMT2A (0.41) PTGER1PTGER4PTGER3PTGER2KMT2A
SCHEMBL5272384 0.83 KMT2A (0.61) PTGER1PTGER4PTGER3PTGER2KMT2A
SCHEMBL5030173 0.83 KMT2A (0.42) PTGER1PTGER4PTGER3PTGER2KMT2A
SCHEMBL2870992 0.81 KMT2A (0.47) KMT2AABCB1GABRA1GABRB2
SCHEMBL4375768 0.81 KMT2A (0.53) PTGER1PTGER4PTGER3PTGER2KMT2A
SCHEMBL6048558 0.79 BACE1 (0.48) KMT2AHSD17B1HSD17B2CYP3A4CYP2C9
Hydrochloric Acid SCHEMBL6048530 0.77 BACE1 (0.47) KMT2AHSD17B1HSD17B2CYP3A4CYP2C9
SCHEMBL528811 0.77 ABCB1 (0.48) PTGER1PTGER4PTGER3PTGER2HSD17B1
SCHEMBL2450381 0.76 DPP4 (0.62) PTGER1PTGER4PTGER3PTGER2HSD17B1
SCHEMBL12305673 0.75 LTA4H (0.45) PTGER1PTGER4PTGER3PTGER2HSD17B1

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