SCHEMBL11219632

SCHEMBL11219632

O=C(O)[C@@H]1CSC(c2cccs2)N1C(=O)CCSSCCC(=O)N1C(c2cccs2)SC[C@H]1C(=O)O

nearest known ligand 0.48

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ ACE P12821 2/20 0.48
▸ KMT2A Q03164 1/20 0.38
▸ HSD17B10 Q99714 1/20 0.37
▸ HTT P42858 1/20 0.36
▸ ATM Q13315 1/20 0.36
▸ POLB P06746 3/20 0.36
▸ GAA P10253 1/20 0.36
▸ RAB9A P51151 1/20 0.36
▸ LMNA P02545 1/20 0.36
▸ ALDH1A1 P00352 1/20 0.36
▸ HPGD P15428 1/20 0.36
▸ FFAR2 O15552 3/20 0.35
▸ KDM4E B2RXH2 1/20 0.35

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
SCHEMBL11067695 0.88 KMT2A (0.53) ACEKMT2AHSD17B10HTTATM
SCHEMBL10944233 0.87 ACE (0.47) ACEKMT2AHSD17B10HTTATM
SCHEMBL683643 0.87 ACE (0.64) ACEHSD17B10POLBGAARAB9A
SCHEMBL11179426 0.87 ACE (0.64) ACEHSD17B10POLBGAARAB9A
SCHEMBL11257852 0.83 ACE (0.55) ACEKMT2AHSD17B10POLBGAA
SCHEMBL11188759 0.82 ACE (0.37) ACEKMT2AHSD17B10HTTPOLB
SCHEMBL10979196 0.79 ACE (0.77) ACEKMT2AHSD17B10HTTPOLB
SCHEMBL10969779 0.79 ACE (0.77) ACEKMT2AHSD17B10HTTPOLB
SCHEMBL11185062 0.79 ACE (0.77) ACEKMT2AHSD17B10HTTPOLB
SCHEMBL11186340 0.78 ACE (0.50) ACEKMT2AHSD17B10POLBGAA

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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