SCHEMBL11845952

SCHEMBL11845952

COc1ccc2c(c1)c(CC(=O)N[C@H](C(=O)O)[C@@H](C)O)c(C)n2C(=O)c1ccc(Cl)cc1

nearest known ligand 0.76

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ PTGS2 P35354 18/20 0.76
▸ PTGS1 P23219 1/20 0.73

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
SCHEMBL11836498 1.00 PTGS2 (0.76) PTGS2PTGS1
SCHEMBL11845946 1.00 PTGS2 (0.76) PTGS2PTGS1
SCHEMBL5112013 0.89 PTGS2 (0.84) PTGS2PTGS1
Sermetacin SCHEMBL11850010 0.87 PTGS2 (0.81) PTGS2PTGS1
Sermetacin SCHEMBL42767 0.87 PTGS2 (0.81) PTGS2PTGS1
Sermetacin SCHEMBL11844892 0.87 PTGS2 (0.81) PTGS2PTGS1
SCHEMBL11849998 0.86 PTGS2 (0.82) PTGS2PTGS1
SCHEMBL11844648 0.86 PTGS2 (0.82) PTGS2PTGS1
SCHEMBL14405006 0.85 PTGS2 (1.00) PTGS2PTGS1
Oxametacin SCHEMBL29378857 0.85 PTGS1 (1.00) 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
US-3962471-A Indolylacetylamino acid derivatives, process for their preparation, and pharmaceutical compositions SCHERING AKTIENGESELLSCHAFT (DT) 1976-06-08 — — US claimed
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