SCHEMBL20628875

SCHEMBL20628875

CC(C)COc1ccc(Br)cc1Cn1ncc2c(C(=O)CO)cccc21

nearest known ligand 0.41

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ PTGER1 P34995 19/20 0.41
▸ CYP1A2 P05177 1/20 0.38

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
SCHEMBL15057382 0.91 PTGER1 (0.44) PTGER1CYP1A2
SCHEMBL15057239 0.89 PTGER1 (0.40) PTGER1CYP1A2
SCHEMBL14785366 0.79 MEN1 (0.43) PTGER1
SCHEMBL15057956 0.79 PTGER1 (0.52) PTGER1
SCHEMBL20628633 0.78 RECQL (0.43) PTGER1CYP1A2
SCHEMBL18783718 0.78 PTGER1 (0.46) PTGER1
SCHEMBL20628876 0.77 PTGER1 (0.44) PTGER1CYP1A2
SCHEMBL15056935 0.77 MAPT (0.45) PTGER1
SCHEMBL15052010 0.75 PTGER1 (0.47) PTGER1CYP1A2
SCHEMBL15057996 0.74 PTGER1 (0.44) 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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