SCHEMBL11188759

SCHEMBL11188759

O=C(O)[C@@H]1CSC(c2cccs2)N1C(=O)CCSSCC(CCN1C(=O)c2ccccc2C1=O)(CCN1C(=O)c2ccccc2C1=O)C(=O)N1C(c2cccs2)SC[C@H]1C(=O)O

nearest known ligand 0.37

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ ACE P12821 2/20 0.37
▸ ALDH1A1 P00352 6/20 0.35
▸ HPGD P15428 4/20 0.35
▸ POLB P06746 2/20 0.35
▸ GLA P06280 1/20 0.34
▸ BRCA1 P38398 1/20 0.34
▸ MAPT P10636 1/20 0.33
▸ TSHR P16473 2/20 0.32
▸ HSD17B10 Q99714 5/20 0.32
▸ KDM4E B2RXH2 3/20 0.32
▸ KMT2A Q03164 2/20 0.32
▸ CASP1 P29466 1/20 0.32
▸ MAPK1 P28482 2/20 0.31
▸ GAA P10253 2/20 0.31
▸ HTT P42858 1/20 0.30
▸ ALOX15 P16050 1/20 0.30

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
SCHEMBL11257600 0.87 ACE (0.53) ACEALDH1A1HPGDPOLBKMT2A
SCHEMBL11219632 0.82 ACE (0.48) ACEALDH1A1HPGDPOLBHSD17B10
SCHEMBL11252420 0.79 ACE (0.55) ACEALDH1A1HPGDPOLBGAA
SCHEMBL11067695 0.73 KMT2A (0.53) ACEALDH1A1HPGDPOLBHSD17B10
SCHEMBL11195316 0.72 ACE (0.55) ACEALDH1A1HPGDPOLBHSD17B10
SCHEMBL11261862 0.71 ACE (0.60) ACEALDH1A1HPGDPOLBKMT2A
SCHEMBL10944233 0.71 ACE (0.47) ACEALDH1A1HPGDPOLBHSD17B10
SCHEMBL11179426 0.71 ACE (0.64) ACEALDH1A1HPGDPOLBHSD17B10
SCHEMBL683643 0.71 ACE (0.64) ACEALDH1A1HPGDPOLBHSD17B10
SCHEMBL11221414 0.70 ACE (0.55) ACEALDH1A1HPGDPOLBGLA

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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