SCHEMBL7928609

SCHEMBL7928609

O=C(O)C=Cc1cc(Cl)ccc1Cc1ccc(Cl)c(Cl)c1

nearest known ligand 0.74

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGER3 P43115 6/20 0.74
PTGER2 P43116 5/20 0.74
PTGDR Q13258 5/20 0.74
TBXA2R P21731 4/20 0.74
PTGFR P43088 3/20 0.74
PTGIR P43119 2/20 0.74
PTGER4 P35408 2/20 0.74
PTGER1 P34995 2/20 0.74
EGFR P00533 1/20 0.50
ITGB2 P05107 2/20 0.43
ICAM1 P05362 2/20 0.43
ITGAL P20701 2/20 0.43
PLA2G1B P04054 1/20 0.43
MAPT P10636 1/20 0.43
ATG4B Q9Y4P1 1/20 0.43
SLC6A2 P23975 2/20 0.42
SLC6A4 P31645 2/20 0.42
SLC6A3 Q01959 2/20 0.42
HAO1 Q9UJM8 1/20 0.40
CCR2 P41597 2/20 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
SCHEMBL7928608 1.00 PTGER3 (0.74) PTGER3PTGER2PTGDRTBXA2RPTGFR
SCHEMBL7928601 0.89 PTGER3 (0.60) PTGER3PTGER2PTGDRTBXA2RPTGFR
SCHEMBL7928606 0.89 PTGER3 (0.60) PTGER3PTGER2PTGDRTBXA2RPTGFR
SCHEMBL7814525 0.87 PTGER3 (0.59) PTGER3PTGER2PTGDRTBXA2RPTGFR
SCHEMBL7814518 0.87 PTGER3 (0.59) PTGER3PTGER2PTGDRTBXA2RPTGFR
SCHEMBL7929782 0.86 PTGER3 (0.64) PTGER3PTGER2PTGDRTBXA2RPTGFR
SCHEMBL7929784 0.86 PTGER3 (0.64) PTGER3PTGER2PTGDRTBXA2RPTGFR
SCHEMBL7934277 0.85 PTGER3 (0.62) PTGER3PTGER2PTGDRTBXA2RPTGFR
SCHEMBL7934282 0.85 PTGER3 (0.62) PTGER3PTGER2PTGDRTBXA2RPTGFR
SCHEMBL7934284 0.85 PTGER3 (0.62) PTGER3PTGER2PTGDRTBXA2RPTGFR

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-6242493-B1 PROSTAGLANDIN INHIBITORS; ANALGESICS, ANTIPYRETICS, ANTIINFLAMMATORY AGENTS MERCK FROSST CANADA & CO. (CA) 2001-06-05 US disclosed