SCHEMBL11169752

SCHEMBL11169752

CC(C(=O)N1C(c2cccs2)SC[C@H]1C(=O)O)C(S)C(=O)c1ccccc1

nearest known ligand 0.38

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ HTT P42858 1/20 0.38
▸ ACE P12821 2/20 0.36
▸ LMNA P02545 1/20 0.36
▸ FFAR2 O15552 8/20 0.36
▸ HSD17B10 Q99714 1/20 0.35
▸ POLB P06746 1/20 0.34
▸ GAA P10253 1/20 0.34
▸ RAB9A P51151 1/20 0.34

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
SCHEMBL11065215 1.00 HTT (0.38) HTTACELMNAFFAR2HSD17B10
SCHEMBL11110245 0.86 HSD17B10 (0.48) HTTACELMNAFFAR2HSD17B10
SCHEMBL11248466 0.84 FFAR2 (0.44) HTTACELMNAFFAR2HSD17B10
SCHEMBL11068375 0.82 POLB (0.44) HTTACELMNAFFAR2HSD17B10
SCHEMBL11067693 0.82 ACE (0.41) HTTACELMNAFFAR2HSD17B10
SCHEMBL11062261 0.82 ACE (0.56) HTTACELMNAFFAR2POLB
SCHEMBL11184480 0.81 FFAR2 (0.52) HTTACELMNAFFAR2HSD17B10
SCHEMBL11067697 0.80 ACE (0.43) HTTACELMNAFFAR2HSD17B10
SCHEMBL11234757 0.79 KDM4E (0.41) FFAR2HSD17B10
SCHEMBL11169739 0.79 ACE (0.49) HTTACELMNAFFAR2

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-4386096-A ANGIOTENSIN-CONVERTING ENZYME INHIBITORS SANTEN PHARMACEUTICAL CO., LTD. (JP) 1983-05-31 — — US claimed
Send feedback