SCHEMBL11199533

SCHEMBL11199533

CC(=O)SC(C(=O)c1ccccc1)[C@@H](C)C(=O)N1C(c2ccc(C(C)(C)C)cc2)SC[C@H]1C(=O)O

nearest known ligand 0.52

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 2/20 0.41
▸ GAA P10253 1/20 0.41
▸ RAB9A P51151 1/20 0.41
▸ FFAR2 O15552 2/20 0.38
▸ HSD17B10 Q99714 1/20 0.38
▸ MEN1 O00255 1/20 0.38
▸ ALDH1A1 P00352 1/20 0.38
▸ KMT2A Q03164 1/20 0.38
▸ ACE P12821 1/20 0.38

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
SCHEMBL11197858 0.90 POLB (0.43) POLBGAARAB9AFFAR2HSD17B10
SCHEMBL11199586 0.89 POLB (0.50) POLBGAARAB9AFFAR2HSD17B10
SCHEMBL11198036 0.84 HTR7 (0.38) POLBFFAR2HSD17B10ACE
SCHEMBL11197149 0.84 HTR7 (0.38) POLBFFAR2HSD17B10ACE
SCHEMBL11195847 0.83 CNR1 (0.39) POLBFFAR2HSD17B10ACE
SCHEMBL11199535 0.76 ACE (0.41) ACE
SCHEMBL11110245 0.75 HSD17B10 (0.48) POLBGAARAB9AFFAR2HSD17B10
SCHEMBL11068375 0.74 POLB (0.44) POLBGAARAB9AFFAR2HSD17B10
SCHEMBL11202090 0.72 ACE (0.45) ACE
SCHEMBL11190975 0.72 ACE (0.45) ACE

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
US-4374249-A HYPOTENSIVE AGENTS AMERICAN CYANAMID COMPANY (US) 1983-02-15 — — US disclosed
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