SCHEMBL20628897

SCHEMBL20628897

CC(C)(O)COc1ccc(Br)cc1Cn1ncc2cc(C(=O)CN=O)ccc21

nearest known ligand 0.39

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ PTGER1 P34995 19/20 0.39
▸ CYP1A2 P05177 1/20 0.37
▸ HDAC2 Q92769 1/20 0.35

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
SCHEMBL15053245 0.89 PTGER1 (0.44) PTGER1CYP1A2
SCHEMBL15057605 0.87 PTGER1 (0.40) PTGER1CYP1A2HDAC2
SCHEMBL15057535 0.82 PTGER1 (0.43) PTGER1CYP1A2
SCHEMBL15076168 0.75 PTGER1 (0.44) PTGER1CYP1A2
SCHEMBL20629007 0.75 PTGER1 (0.53) PTGER1CYP1A2
SCHEMBL15057809 0.74 KDM4E (0.43) PTGER1
SCHEMBL15076243 0.73 ALDH1A1 (0.40) PTGER1CYP1A2
SCHEMBL15076241 0.73 PLA2G4A (0.41) PTGER1CYP1A2
SCHEMBL15057806 0.73 PTGER1 (0.58) PTGER1CYP1A2
SCHEMBL15076237 0.73 PTGER1 (0.40) PTGER1CYP1A2

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-3424904-A1 COMPOUNDS ACTING AT MULTIPLE PROSTAGLANDIN RECEPTORS GIVING A GENERAL ANTI-INFLAMMATORY RESPONSE Allergan, Inc. (US) 2019-01-09 — — EP disclosed
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