SCHEMBL16671529

SCHEMBL16671529

CC(C)C(=O)NCc1ccc(Cl)c(CO)c1F

nearest known ligand 0.44

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
▸ PTGES O14684 20/20 0.44

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
SCHEMBL16670819 0.82 PTGES (0.39) PTGES
SCHEMBL15169717 0.80 PTGES (0.44) PTGES
SCHEMBL16671439 0.79 PTGES (0.44) PTGES
SCHEMBL18809972 0.78 PTGES (0.43) PTGES
SCHEMBL18810062 0.77 PTGES (0.42) PTGES
Hydrochloric Acid SCHEMBL20489881 0.76 PTGES (0.42) PTGES
Hydrochloric Acid SCHEMBL29417012 0.76 PTGES (0.42) PTGES
SCHEMBL15169817 0.75 PTGES (0.45) PTGES
SCHEMBL18887626 0.75 ERCC1 (0.50) PTGES
SCHEMBL1563200 0.72 BDKRB2 (0.44) PTGES

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2015059618-A1 SUBSTITUTED PYRIMIDINE COMPOUNDS AS mPGES-1 INHIBITORS GLENMARK PHARMACEUTICALS S.A. (CH) 2015-04-30 — — WO disclosed
WO-2015059618-A1 SUBSTITUTED PYRIMIDINE COMPOUNDS AS mPGES-1 INHIBITORS GLENMARK PHARMACEUTICALS S.A. (CH) 2015-04-30 — — WO disclosed
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