SCHEMBL28742891

SCHEMBL28742891

CCCc1cccc(OC(=O)C(C)NC(=N)N)c1

nearest known ligand 0.47

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ ALOX5 P09917 1/20 0.47
▸ ACHE P22303 9/20 0.44
▸ CYP2D6 P10635 1/20 0.42
▸ PPARG P37231 1/20 0.39
▸ PPARA Q07869 1/20 0.39

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
SCHEMBL27678742 0.82 PLAU (0.45) —
SCHEMBL27547745 0.80 HSD17B10 (0.48) —
SCHEMBL27260088 0.79 MAPK1 (0.47) —
SCHEMBL16124574 0.77 ALOX5 (0.48) ALOX5ACHECYP2D6PPARGPPARA
SCHEMBL14783795 0.77 MEN1 (0.61) ALOX5ACHEPPARGPPARA
SCHEMBL16124570 0.76 ALOX5 (0.52) ALOX5ACHEPPARGPPARA
SCHEMBL21225979 0.72 ALOX5 (0.57) ALOX5ACHEPPARGPPARA
SCHEMBL28044165 0.72 PPARA (0.54) PPARGPPARA
SCHEMBL12881236 0.72 ALOX5 (0.49) ALOX5ACHEPPARGPPARA
SCHEMBL28425617 0.72 ALOX5 (0.53) ALOX5ACHE

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
CN-1282325-A Arylthiazolidinedione derivatives MERCK & CO INC (US) 2001-01-31 — — CN disclosed
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