SCHEMBL19610436

SCHEMBL19610436

CCC(CC)COc1ccc(Br)cc1Cn1ncc(OC(=O)O)c1C

nearest known ligand 0.43

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ PTGER1 P34995 19/20 0.43
▸ CYP1A2 P05177 1/20 0.43
▸ PTGDR2 Q9Y5Y4 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
SCHEMBL19610402 0.90 PTGER1 (0.44) PTGER1CYP1A2
SCHEMBL19610448 0.89 PTGER1 (0.40) PTGER1CYP1A2PTGDR2
SCHEMBL19610400 0.88 PTGER1 (0.47) PTGER1
SCHEMBL15052055 0.87 PTGER1 (0.46) PTGER1CYP1A2
SCHEMBL15052433 0.86 PTGER1 (0.43) PTGER1CYP1A2PTGDR2
SCHEMBL19610392 0.85 PTGER1 (0.41) PTGER1PTGDR2
SCHEMBL19610393 0.84 PPARD (0.38) —
SCHEMBL19610439 0.84 PTGER1 (0.45) PTGER1CYP1A2
SCHEMBL15051821 0.83 PTGER1 (0.40) PTGER1CYP1A2
SCHEMBL15051959 0.82 PTGER1 (0.39) PTGER1CYP1A2PTGDR2

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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