SCHEMBL7961856

SCHEMBL7961856

CCOC(=O)/C=C/c1ccccc1CCCc1cccc(C)c1OCc1ccccc1

nearest known ligand 0.80

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PTGER3 P43115 12/20 0.80
PTGER4 P35408 11/20 0.80
PTGER2 P43116 11/20 0.80
PTGER1 P34995 8/20 0.61
PTGDR Q13258 1/20 0.43
ALOX5 P09917 1/20 0.42
LMNA P02545 1/20 0.41
MAPT P10636 1/20 0.41
AKR1B10 O60218 1/20 0.39
AKR1B1 P15121 1/20 0.39
L3MBTL1 Q9Y468 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
SCHEMBL7961860 1.00 PTGER3 (0.80) PTGER3PTGER4PTGER2PTGER1PTGDR
SCHEMBL7798340 0.89 PTGER3 (1.00) PTGER3PTGER4PTGER2PTGER1PTGDR
SCHEMBL7798336 0.89 PTGER3 (1.00) PTGER3PTGER4PTGER2PTGER1PTGDR
SCHEMBL7947922 0.86 PTGER3 (0.82) PTGER3PTGER4PTGER2PTGER1PTGDR
SCHEMBL7805997 0.81 PTGER4 (0.73) PTGER3PTGER4PTGER2PTGER1
SCHEMBL7961865 0.80 PTGER4 (0.69) PTGER3PTGER4PTGER2PTGER1ALOX5
SCHEMBL2391059 0.77 PTGER4 (0.50) PTGER3PTGER4PTGER2PTGER1ALOX5
SCHEMBL24611344 0.77 THRA (0.48) PTGER3PTGER4PTGER2ALOX5LMNA
SCHEMBL7807171 0.76 PTGER4 (0.73) PTGER3PTGER4PTGER2PTGER1L3MBTL1
SCHEMBL7955267 0.76 PTGER4 (1.00) PTGER3PTGER4PTGER2PTGER1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6211197-B1 CARBOXYLIC ACID OR TETRAZOLE DERIVATES; ANALGESICS, ANTIPYRETICS, AND ANTIINFLAMMATORY AGENTS; SIDE EFFECT REDUCTION MERCK FROSST CANADA & CO. (CA) 2001-04-03 US disclosed