SCHEMBL7817233

SCHEMBL7817233

COc1ccc(Cc2ccc3ccccc3c2)c(C=CC(=O)O)c1

nearest known ligand 0.71

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ PTGER3 P43115 6/20 0.71
▸ PTGDR Q13258 4/20 0.71
▸ PTGER4 P35408 4/20 0.71
▸ PTGER2 P43116 4/20 0.71
▸ TBXA2R P21731 3/20 0.71
▸ PTGFR P43088 2/20 0.71
▸ PTGS1 P23219 1/20 0.52
▸ AKR1C3 P42330 1/20 0.52
▸ AKR1C2 P52895 1/20 0.52
▸ PTGER1 P34995 2/20 0.50
▸ PTGIR P43119 1/20 0.50
▸ MEN1 O00255 1/20 0.50
▸ KMT2A Q03164 1/20 0.50
▸ DRD3 P35462 1/20 0.48
▸ GAA P10253 1/20 0.47
▸ CYP1A2 P05177 1/20 0.45
▸ CYP2A6 P11509 1/20 0.45
▸ EGFR P00533 1/20 0.45

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
SCHEMBL7817228 1.00 PTGER3 (0.71) PTGER3PTGDRPTGER4PTGER2TBXA2R
SCHEMBL7922115 0.83 PTGER3 (1.00) PTGER3PTGDRPTGER4PTGER2TBXA2R
SCHEMBL7922112 0.83 PTGER3 (1.00) PTGER3PTGDRPTGER4PTGER2TBXA2R
SCHEMBL7819867 0.83 PTGER3 (0.74) PTGER3PTGDRPTGER4PTGER2TBXA2R
SCHEMBL7819865 0.83 PTGER3 (0.74) PTGER3PTGDRPTGER4PTGER2TBXA2R
SCHEMBL7929714 0.76 PTGER3 (1.00) PTGER3PTGDRPTGER4PTGER2TBXA2R
SCHEMBL7929719 0.76 PTGER3 (1.00) PTGER3PTGDRPTGER4PTGER2TBXA2R
SCHEMBL7929782 0.76 PTGER3 (0.64) PTGER3PTGDRPTGER4PTGER2TBXA2R
SCHEMBL7929784 0.76 PTGER3 (0.64) PTGER3PTGDRPTGER4PTGER2TBXA2R
SCHEMBL2981091 0.75 PTGER3 (0.70) PTGER3PTGDRPTGER4PTGER2TBXA2R

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
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