SCHEMBL10969779

SCHEMBL10969779

O=C(O)[C@@H]1CS[C@H](c2ccccc2O)N1C(=O)CCSSCCC(=O)N1[C@@H](c2ccccc2O)SC[C@H]1C(=O)O

nearest known ligand 0.77

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ACE P12821 2/20 0.77
LMNA P02545 1/20 0.46
FFAR2 O15552 11/20 0.45
ALDH1A1 P00352 1/20 0.43
POLB P06746 1/20 0.43
HPGD P15428 1/20 0.43
HTT P42858 1/20 0.40
KMT2A Q03164 1/20 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
SCHEMBL11185062 1.00 ACE (0.77) ACELMNAFFAR2ALDH1A1POLB
SCHEMBL10979196 1.00 ACE (0.77) ACELMNAFFAR2ALDH1A1POLB
SCHEMBL11195371 0.98 ACE (0.73) ACELMNAFFAR2ALDH1A1POLB
SCHEMBL11188945 0.96 ACE (0.71) ACELMNAFFAR2ALDH1A1POLB
SCHEMBL11184392 0.94 ACE (0.69) ACELMNAFFAR2ALDH1A1POLB
SCHEMBL11193174 0.94 ACE (0.69) ACELMNAFFAR2ALDH1A1POLB
SCHEMBL11191745 0.94 ACE (0.69) ACELMNAFFAR2ALDH1A1POLB
SCHEMBL11188022 0.92 ACE (0.66) ACELMNAFFAR2ALDH1A1POLB
SCHEMBL11188036 0.91 ACE (0.64) ACELMNAFFAR2ALDH1A1POLB
SCHEMBL29888703 0.91 ACE (0.73) ACELMNAFFAR2ALDH1A1POLB

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
EP-0048763-B1 SULFUR-CONTAINING ACYLAMINO ACIDS SANTEN PHARMACEUTICAL CO., LTD. (JP) 1985-11-06 EP disclosed
US-4425333-A HYPOTENSIVES SANTEN PHARMACEUTICAL CO., LTD. (JP) 1984-01-10 US disclosed