SCHEMBL7814518

SCHEMBL7814518

O=C(O)/C=C/c1cc(Cl)ccc1Cc1ccc(Cl)cc1.[NaH]

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGER3 P43115 5/20 0.59
PTGDR Q13258 5/20 0.59
TBXA2R P21731 4/20 0.59
PTGER2 P43116 4/20 0.59
PTGFR P43088 3/20 0.59
PTGIR P43119 2/20 0.59
PTGER4 P35408 2/20 0.56
PTGER1 P34995 1/20 0.56
EGFR P00533 1/20 0.54
MAPT P10636 2/20 0.43
ITGB2 P05107 2/20 0.43
ICAM1 P05362 2/20 0.43
ITGAL P20701 2/20 0.43
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
PLA2G1B P04054 1/20 0.43
ATG4B Q9Y4P1 1/20 0.43
ESR1 P03372 1/20 0.42
PKM P14618 1/20 0.41
TAAR1 Q96RJ0 1/20 0.41

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
SCHEMBL7814525 1.00 PTGER3 (0.59) PTGER3PTGDRTBXA2RPTGER2PTGFR
SCHEMBL7928606 0.98 PTGER3 (0.60) PTGER3PTGDRTBXA2RPTGER2PTGFR
SCHEMBL7928601 0.98 PTGER3 (0.60) PTGER3PTGDRTBXA2RPTGER2PTGFR
SCHEMBL7934282 0.89 PTGER3 (0.62) PTGER3PTGDRTBXA2RPTGER2PTGFR
SCHEMBL7934277 0.89 PTGER3 (0.62) PTGER3PTGDRTBXA2RPTGER2PTGFR
SCHEMBL7929782 0.87 PTGER3 (0.64) PTGER3PTGDRTBXA2RPTGER2PTGFR
SCHEMBL7928609 0.87 PTGER3 (0.74) PTGER3PTGDRTBXA2RPTGER2PTGFR
SCHEMBL7929784 0.87 PTGER3 (0.64) PTGER3PTGDRTBXA2RPTGER2PTGFR
SCHEMBL7928608 0.87 PTGER3 (0.74) PTGER3PTGDRTBXA2RPTGER2PTGFR
SCHEMBL7934284 0.86 PTGER3 (0.62) PTGER3PTGDRTBXA2RPTGER2PTGFR

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
US-6242493-B1 PROSTAGLANDIN INHIBITORS; ANALGESICS, ANTIPYRETICS, ANTIINFLAMMATORY AGENTS MERCK FROSST CANADA & CO. (CA) 2001-06-05 US disclosed
EP-1071648-A2 CARBOXYLIC ACIDS AND ACYLSULFONAMIDES, COMPOSITIONS CONTAINING SUCH COMPOUNDS AND METHODS OF TREATMENT Merck Frosst Canada & Co. (CA) 2001-01-31 EP disclosed
WO-1999047497-A2 CARBOXYLIC ACIDS AND ACYLSULFONAMIDES, COMPOSITIONS CONTAINING SUCH COMPOUNDS AND METHODS OF TREATMENT MERCK FROSST CANADA & CO. (CA) 1999-09-23 WO disclosed