SCHEMBL7929816

SCHEMBL7929816

CSc1ccc(Cc2ccccc2C=CC(=O)O)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ PTGER3 P43115 12/20 1.00
▸ PTGER2 P43116 11/20 1.00
▸ PTGDR Q13258 5/20 1.00
▸ TBXA2R P21731 4/20 1.00
▸ PTGER4 P35408 9/20 0.61
▸ PTGFR P43088 3/20 0.61
▸ PTGER1 P34995 4/20 0.60
▸ PTGIR P43119 2/20 0.60
▸ SLC6A2 P23975 2/20 0.49
▸ SLC6A4 P31645 2/20 0.49
▸ SLC6A3 Q01959 2/20 0.49
▸ CA1 P00915 1/20 0.44
▸ CA2 P00918 1/20 0.44
▸ NFKB1 P19838 1/20 0.44
▸ CA4 P22748 1/20 0.44
▸ MAOB P27338 1/20 0.43
▸ TBXAS1 P24557 1/20 0.42
▸ MEN1 O00255 1/20 0.42
▸ KMT2A Q03164 1/20 0.42

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
SCHEMBL7929810 1.00 PTGER3 (1.00) PTGER3PTGER2PTGDRTBXA2RPTGER4
SCHEMBL7934278 0.86 PTGER3 (0.76) PTGER3PTGER2PTGDRTBXA2RPTGER4
SCHEMBL7934285 0.86 PTGER3 (0.76) PTGER3PTGER2PTGDRTBXA2RPTGER4
SCHEMBL157606 0.85 PTGER3 (0.73) PTGER3PTGER2PTGDRTBXA2RPTGER4
SCHEMBL9791023 0.84 PTGER3 (0.73) PTGER3PTGER2PTGDRTBXA2RPTGER4
SCHEMBL9791019 0.84 PTGER3 (0.73) PTGER3PTGER2PTGDRTBXA2RPTGER4
SCHEMBL7922112 0.76 PTGER3 (1.00) PTGER3PTGER2PTGDRTBXA2RPTGER4
SCHEMBL7922115 0.76 PTGER3 (1.00) PTGER3PTGER2PTGDRTBXA2RPTGER4
SCHEMBL1150939 0.75 PTGER3 (0.63) PTGER3PTGER2PTGDRTBXA2RPTGER4
SCHEMBL3214322 0.75 PTGER3 (0.63) PTGER3PTGER2PTGDRTBXA2RPTGER4

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
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