SCHEMBL8637712

SCHEMBL8637712

C#CC(Oc1ccc(Cc2ccccc2)cc1)C(N)(CCC)C(=O)OCC

nearest known ligand 0.40

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PPARG P37231 4/20 0.40
PPARA Q07869 4/20 0.40
LTA4H P09960 13/20 0.40
LMNA P02545 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
OPRK1 P41145 1/20 0.38
CACNA1G O43497 1/20 0.36

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
SCHEMBL8644119 0.75 PPARG (0.47) PPARGPPARALTA4HLMNAL3MBTL1
SCHEMBL8639364 0.74 PPARG (0.44) PPARGPPARALTA4HLMNAL3MBTL1
SCHEMBL8639512 0.72 OPRK1 (0.46) PPARGPPARALTA4HOPRK1
SCHEMBL11066953 0.71 OPRK1 (0.63) PPARGPPARALTA4HLMNAOPRK1
SCHEMBL8639342 0.66 ELANE (0.43) PPARGPPARALTA4HLMNAOPRK1
SCHEMBL11068228 0.66 OPRK1 (0.78) PPARGPPARALTA4HLMNAOPRK1
SCHEMBL8639571 0.65 LTA4H (0.44) LTA4HLMNAL3MBTL1
SCHEMBL8635978 0.64 LTA4H (0.43) PPARGPPARALTA4HLMNA
SCHEMBL8640502 0.64 LTA4H (0.43) PPARGPPARALTA4H
SCHEMBL8641923 0.63 ELANE (0.42) PPARGPPARALTA4HLMNA

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5723492-A LTA4 hydrolase inhibitor pharmaceutical compositions and methods of use G.D. SEARLE & CO. (US) 1998-03-03 US disclosed
US-5719306-A ANTIINFLAMMATORY AGENTS G.D. SEARLE & CO. (US) 1998-02-17 US disclosed