SCHEMBL11234757

SCHEMBL11234757

CC(C(=O)N1C(c2cccnc2)SC[C@H]1C(=O)O)C(S)C(=O)c1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 1/20 0.41
▸ ALDH1A1 P00352 1/20 0.41
▸ FFAR2 O15552 3/20 0.40
▸ HSD17B10 Q99714 1/20 0.40

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
SCHEMBL11110245 0.90 HSD17B10 (0.48) ALDH1A1FFAR2HSD17B10
SCHEMBL11248466 0.89 FFAR2 (0.44) ALDH1A1FFAR2HSD17B10
SCHEMBL11068375 0.84 POLB (0.44) ALDH1A1FFAR2HSD17B10
SCHEMBL11066449 0.84 HTT (0.44) ALDH1A1FFAR2HSD17B10
SCHEMBL11247271 0.81 KDM4E (0.45) KDM4EALDH1A1HSD17B10
SCHEMBL11189829 0.81 KDM4E (0.45) KDM4EALDH1A1HSD17B10
SCHEMBL11062261 0.80 ACE (0.56) ALDH1A1FFAR2
SCHEMBL11234749 0.80 ACE (0.47) KDM4EALDH1A1FFAR2HSD17B10
SCHEMBL11065215 0.79 HTT (0.38) FFAR2HSD17B10
SCHEMBL11169752 0.79 HTT (0.38) FFAR2HSD17B10

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-4356183-A ENZYME INHIBITORS SANTEN PHARMACEUTICAL CO., LTD. (JP) 1982-10-26 — — US claimed
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