SCHEMBL20740191

SCHEMBL20740191

CC(C)Cc1ccc(C(C)C(=O)NC(CO)(CO)CO)cc1.COc1ccc2c(c1)c(CC(=O)NC(CO)(CO)CO)c(C)n2C(=O)c1ccc(Cl)cc1

nearest known ligand 0.65

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 18/20 0.65
PTGS1 P23219 2/20 0.62

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
SCHEMBL16752454 0.87 PTGS2 (0.84) PTGS2PTGS1
Indomethacin SCHEMBL4300161 0.83 PTGS2 (0.74) PTGS2PTGS1
Indomethacin SCHEMBL8702320 0.80 PTGS2 (0.80) PTGS2PTGS1
SCHEMBL5112013 0.78 PTGS2 (0.84) PTGS2PTGS1
Oxametacin SCHEMBL29378857 0.78 PTGS1 (1.00) PTGS2PTGS1
Oxametacin SCHEMBL24552 0.78 PTGS1 (1.00) PTGS2PTGS1
SCHEMBL13777302 0.78 PTGS2 (0.75) PTGS2PTGS1
SCHEMBL15709179 0.78 PTGS2 (0.89) PTGS2PTGS1
SCHEMBL20259394 0.77 PTGS2 (0.83) PTGS2PTGS1
Indomethacin SCHEMBL6827247 0.77 PTGS2 (0.63) PTGS2PTGS1

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
EP-2878592-B1 SYNTHESIS OF AMIDE DERIVATIVES OF SOME NONSTEROIDAL ANTIINFLAMMATORY DRUGS AS POTENTIAL PRO-DRUGS KUECUEKGUEZEL ILKAY (TR) 2019-02-20 EP claimed