SCHEMBL19610448

SCHEMBL19610448

CCC(CC)COc1ccc(Br)cc1Cn1ncc(OC(=O)O)c1N

nearest known ligand 0.40

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ PTGER1 P34995 18/20 0.40
▸ CYP1A2 P05177 1/20 0.40
▸ TP53 P04637 1/20 0.38
▸ MAPT P10636 1/20 0.38
▸ PTGDR2 Q9Y5Y4 1/20 0.37

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
SCHEMBL19610436 0.89 PTGER1 (0.43) PTGER1CYP1A2PTGDR2
SCHEMBL15051955 0.87 PTGER1 (0.43) PTGER1CYP1A2TP53MAPT
SCHEMBL15052004 0.83 ALDH1A1 (0.53) PTGER1CYP1A2TP53MAPT
SCHEMBL15052055 0.80 PTGER1 (0.46) PTGER1CYP1A2
SCHEMBL15052180 0.79 PTGER1 (0.52) PTGER1CYP1A2
SCHEMBL15052433 0.79 PTGER1 (0.43) PTGER1CYP1A2PTGDR2
SCHEMBL19610402 0.79 PTGER1 (0.44) PTGER1CYP1A2
SCHEMBL19610400 0.77 PTGER1 (0.47) PTGER1
SCHEMBL19610429 0.77 PTGER1 (0.48) PTGER1CYP1A2PTGDR2
SCHEMBL15076280 0.77 PTGER1 (0.41) 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-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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