SCHEMBL11195287

SCHEMBL11195287

CCC(=O)Oc1ccccc1C1SC[C@@H](C(=O)O)N1C(=O)CCSSCCC(=O)N1C(c2ccccc2OC(=O)CC)SC[C@H]1C(=O)O

nearest known ligand 0.52

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ ACE P12821 2/20 0.52
▸ FFAR2 O15552 13/20 0.42
▸ LMNA P02545 1/20 0.40
▸ HTT P42858 1/20 0.39
▸ ALDH1A1 P00352 1/20 0.38
▸ POLB P06746 1/20 0.38
▸ HPGD P15428 1/20 0.38
▸ KMT2A Q03164 1/20 0.37

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
SCHEMBL11191864 0.90 ACE (0.53) ACEFFAR2LMNAHTTALDH1A1
SCHEMBL10999352 0.82 ACE (0.52) ACEFFAR2LMNAHTTPOLB
SCHEMBL11267042 0.81 ACE (0.53) ACEFFAR2LMNAHTTPOLB
SCHEMBL10979196 0.81 ACE (0.77) ACEFFAR2LMNAHTTALDH1A1
SCHEMBL11185062 0.81 ACE (0.77) ACEFFAR2LMNAHTTALDH1A1
SCHEMBL10969779 0.81 ACE (0.77) ACEFFAR2LMNAHTTALDH1A1
SCHEMBL11191745 0.81 ACE (0.69) ACEFFAR2LMNAHTTALDH1A1
SCHEMBL11075093 0.81 ACE (0.54) ACEFFAR2LMNAHTTPOLB
SCHEMBL11184392 0.81 ACE (0.69) ACEFFAR2LMNAHTTALDH1A1
SCHEMBL11191933 0.80 ACE (0.58) ACEFFAR2LMNAHTTALDH1A1

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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