SCHEMBL20628868

SCHEMBL20628868

CCCC(CC)COc1ccc(Br)cc1Cn1ncc2cc(C=O)ccc21

nearest known ligand 0.33

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ PTGER1 P34995 14/20 0.33
▸ ALDH1A1 P00352 4/20 0.32
▸ CYP1A2 P05177 1/20 0.32
▸ RXFP1 Q9HBX9 1/20 0.32
▸ SMN1; SMN2 Q16637 1/20 0.31

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
SCHEMBL15076241 0.79 PLA2G4A (0.41) PTGER1CYP1A2
SCHEMBL15076262 0.78 KDM4E (0.36) PTGER1CYP1A2
SCHEMBL20629092 0.76 ALDH1A1 (0.35) PTGER1ALDH1A1CYP1A2
SCHEMBL20628799 0.76 PTGER1 (0.39) PTGER1ALDH1A1RXFP1
SCHEMBL15076168 0.71 PTGER1 (0.44) PTGER1ALDH1A1CYP1A2
SCHEMBL20628633 0.70 RECQL (0.43) PTGER1ALDH1A1CYP1A2
SCHEMBL20628787 0.70 PTGDR2 (0.51) ALDH1A1CYP1A2
SCHEMBL15058139 0.70 PTGER1 (0.36) PTGER1CYP1A2
SCHEMBL15076243 0.70 ALDH1A1 (0.40) PTGER1ALDH1A1CYP1A2
SCHEMBL15076280 0.70 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-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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