SCHEMBL7521462

SCHEMBL7521462

CCCCCC(=O)CC(=O)Nc1cc(CCCCC)ccc1NC(=O)O

nearest known ligand 0.44

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ PLK1 P53350 7/20 0.44
▸ PLK3 Q9H4B4 2/20 0.44
▸ FAAH O00519 1/20 0.43
▸ KAT8 Q9H7Z6 2/20 0.42
▸ PPARA Q07869 1/20 0.42
▸ TRPM2 O94759 1/20 0.42
▸ ALDH1A1 P00352 1/20 0.41
▸ HSD17B10 Q99714 1/20 0.41
▸ TRPV1 Q8NER1 1/20 0.41
▸ MEN1 O00255 1/20 0.41
▸ MAPT P10636 1/20 0.41
▸ KMT2A Q03164 1/20 0.41
▸ GPR119 Q8TDV5 1/20 0.41

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
SCHEMBL5869994 0.84 KCNQ4 (0.40) PLK1PLK3FAAHHSD17B10GPR119
SCHEMBL6626010 0.83 SOAT1 (0.56) KMT2A
SCHEMBL5870594 0.80 RAB9A (0.52) PLK1PLK3ALDH1A1MEN1MAPT
SCHEMBL20556160 0.77 PLK1 (0.53) PLK1PLK3KAT8PPARAALDH1A1
SCHEMBL9845820 0.75 PLK1 (0.50) PLK1PLK3KAT8PPARAALDH1A1
SCHEMBL3855724 0.73 ALDH1A1 (0.66) ALDH1A1MEN1MAPTKMT2A
SCHEMBL6623104 0.72 NPC1 (0.54) PLK1PLK3ALDH1A1MAPTKMT2A
SCHEMBL20504184 0.70 TDP1 (0.51) ALDH1A1HSD17B10MEN1MAPTKMT2A
SCHEMBL23281438 0.70 GAA (0.60) TRPV1MEN1MAPTKMT2A
SCHEMBL14984048 0.70 GAA (0.72) ALDH1A1MEN1MAPTKMT2A

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
EP-1224175-A2 BENZODIAZEPINE DERIVATIVES AS METABOTROPIC GLUTAMATE RECEPTOR ANTAGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2002-07-24 — — EP disclosed
WO-2001029012-A2 BENZODIAZEPINE DERIVATIVES AS METABOTROPIC GLUTAMATE RECEPTOR ANTAGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2001-04-26 — — WO disclosed
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