SCHEMBL11192054

SCHEMBL11192054

C[C@@H](CN1C(Cc2ccccc2)SCC1C(=O)O)C(=O)SSC(=O)[C@@H](C)CN1C(Cc2ccccc2)SCC1C(=O)O

nearest known ligand 0.40

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ ACE P12821 6/20 0.36
▸ HSD17B10 Q99714 1/20 0.34
▸ KCNH2 Q12809 1/20 0.33
▸ HRH3 Q9Y5N1 1/20 0.33
▸ KDM4E B2RXH2 1/20 0.33
▸ ALDH1A1 P00352 1/20 0.33

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
SCHEMBL11194045 0.77 ACE (0.51) ACEALDH1A1
SCHEMBL11192048 0.74 ACE (0.43) ACEHSD17B10
SCHEMBL11263001 0.74 POLB (0.40) ACEHSD17B10KDM4EALDH1A1
SCHEMBL11190617 0.74 FFAR2 (0.44) ACEHSD17B10KDM4EALDH1A1
SCHEMBL11184581 0.74 POLB (0.40) HSD17B10ALDH1A1
SCHEMBL11190514 0.73 ACE (0.55) ACE
SCHEMBL11197073 0.73 ACE (0.55) ACE
SCHEMBL11189268 0.73 ALDH1A1 (0.44) KDM4EALDH1A1
SCHEMBL11202283 0.72 POLB (0.38) HSD17B10KDM4EALDH1A1
SCHEMBL11194364 0.71 ACE (0.52) ACEHSD17B10

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
US-4410542-A HYPOTENSIVE AGENTS, PYRROLINE-1,2-DICARBOXYLIC ACID DERIVATIVES SANTEN PHARMACEUTICAL CO., LTD. (JP) 1983-10-18 — — US disclosed
US-4347371-A HYPERTENSIVE AGENTS; ANTIDIABETIC AGENTS; VISION DEFECTS SANTEN PHARMACEUTICAL CO., LTD. (JP) 1982-08-31 — — US disclosed
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