SCHEMBL11192570

SCHEMBL11192570

O=C(O)[C@@H]1CSC(c2ccccc2Cl)N1C(=O)CCSSCCC(=O)N1C(c2ccccc2Cl)SC[C@H]1C(=O)O

nearest known ligand 0.61

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 1/20 0.61
▸ FFAR2 O15552 15/20 0.60
▸ ACE P12821 2/20 0.58
▸ HTT P42858 1/20 0.53
▸ ALDH1A1 P00352 1/20 0.43
▸ POLB P06746 1/20 0.43
▸ HPGD P15428 1/20 0.43

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
SCHEMBL10979196 0.87 ACE (0.77) LMNAFFAR2ACEHTTALDH1A1
SCHEMBL11185062 0.87 ACE (0.77) LMNAFFAR2ACEHTTALDH1A1
SCHEMBL10969779 0.87 ACE (0.77) LMNAFFAR2ACEHTTALDH1A1
SCHEMBL11191543 0.87 ACE (0.77) LMNAFFAR2ACEHTTALDH1A1
SCHEMBL11191933 0.86 ACE (0.58) LMNAFFAR2ACEHTTALDH1A1
SCHEMBL11195371 0.85 ACE (0.73) LMNAFFAR2ACEHTTALDH1A1
SCHEMBL11257852 0.84 ACE (0.55) LMNAFFAR2ACEALDH1A1POLB
SCHEMBL11188945 0.83 ACE (0.71) LMNAFFAR2ACEHTTALDH1A1
SCHEMBL11184392 0.82 ACE (0.69) LMNAFFAR2ACEHTTALDH1A1
SCHEMBL11191745 0.82 ACE (0.69) LMNAFFAR2ACEHTTALDH1A1

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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