SCHEMBL20629022

SCHEMBL20629022

CCC(CC)COc1ccc(Br)cc1Cn1nc(C)c2cc(C3OC3N=O)ccc21

nearest known ligand 0.35

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ PTGER1 P34995 20/20 0.35
▸ CYP1A2 P05177 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
SCHEMBL15076244 0.78 PTGER1 (0.44) PTGER1CYP1A2
SCHEMBL20629092 0.70 ALDH1A1 (0.35) PTGER1CYP1A2
SCHEMBL19547233 0.69 PTGER1 (0.49) PTGER1CYP1A2
SCHEMBL15053916 0.69 PTGER1 (0.46) PTGER1CYP1A2
SCHEMBL15076238 0.69 SLC22A12 (0.43) PTGER1CYP1A2
SCHEMBL15057693 0.69 PTGER1 (0.44) PTGER1CYP1A2
SCHEMBL15068508 0.68 PTGER1 (0.36) PTGER1CYP1A2
SCHEMBL15057643 0.68 PTGER1 (0.42) PTGER1CYP1A2
SCHEMBL15076264 0.68 PTGER1 (0.46) PTGER1
SCHEMBL15052158 0.68 PTGER1 (0.49) 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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