SCHEMBL11261862

SCHEMBL11261862

CCC(CC)(CSSCCC(=O)N1C(c2ccccc2O)SC[C@H]1C(=O)O)C(=O)N1C(c2ccccc2O)SC[C@H]1C(=O)O

nearest known ligand 0.60

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ ACE P12821 2/20 0.60
▸ LMNA P02545 1/20 0.37
▸ FFAR2 O15552 11/20 0.37
▸ HTT P42858 1/20 0.35
▸ ALDH1A1 P00352 1/20 0.35
▸ POLB P06746 1/20 0.35
▸ HPGD P15428 1/20 0.35
▸ KMT2A Q03164 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
SCHEMBL11196508 0.88 ACE (0.55) ACELMNAFFAR2HTTALDH1A1
SCHEMBL10979196 0.87 ACE (0.77) ACELMNAFFAR2HTTALDH1A1
SCHEMBL10969779 0.87 ACE (0.77) ACELMNAFFAR2HTTALDH1A1
SCHEMBL11185062 0.87 ACE (0.77) ACELMNAFFAR2HTTALDH1A1
SCHEMBL11195316 0.87 ACE (0.55) ACELMNAFFAR2HTTALDH1A1
SCHEMBL11184392 0.86 ACE (0.69) ACELMNAFFAR2HTTALDH1A1
SCHEMBL11191745 0.86 ACE (0.69) ACELMNAFFAR2HTTALDH1A1
SCHEMBL11252420 0.86 ACE (0.55) ACELMNAFFAR2ALDH1A1POLB
SCHEMBL11195371 0.85 ACE (0.73) ACELMNAFFAR2HTTALDH1A1
SCHEMBL11257600 0.85 ACE (0.53) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4347371-A HYPERTENSIVE AGENTS; ANTIDIABETIC AGENTS; VISION DEFECTS SANTEN PHARMACEUTICAL CO., LTD. (JP) 1982-08-31 — — US disclosed
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