SCHEMBL19610439

SCHEMBL19610439

Cc1c(OC(=O)O)cnn1Cc1cc(Br)ccc1OCC(C)(C)C

nearest known ligand 0.45

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ PTGER1 P34995 20/20 0.45
▸ CYP1A2 P05177 1/20 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
SCHEMBL15052529 0.86 PTGER1 (0.48) PTGER1CYP1A2
SCHEMBL19610402 0.85 PTGER1 (0.44) PTGER1CYP1A2
SCHEMBL19610436 0.84 PTGER1 (0.43) PTGER1CYP1A2
SCHEMBL15057535 0.77 PTGER1 (0.43) PTGER1CYP1A2
SCHEMBL15057653 0.74 RECQL (0.43) PTGER1CYP1A2
SCHEMBL19610449 0.73 PTGER1 (0.58) PTGER1
SCHEMBL19610448 0.73 PTGER1 (0.40) PTGER1CYP1A2
SCHEMBL15052010 0.72 PTGER1 (0.47) PTGER1CYP1A2
SCHEMBL19610400 0.71 PTGER1 (0.47) PTGER1
SCHEMBL18783881 0.71 PTGER1 (0.42) PTGER1

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-2797893-B1 COMPOUNDS ACTING AT MULTIPLE PROSTAGLANDIN RECEPTORS GIVING A GENERAL ANTI-INFLAMMATORY RESPONSE ALLERGAN INC (US) 2017-11-22 — — EP claimed
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