SCHEMBL11186340

SCHEMBL11186340

O=C(O)[C@@H]1CSC(c2ccc(O)cc2)N1C(=O)CCSSCCC(=O)N1C(c2ccc(O)cc2)SC[C@H]1C(=O)O

nearest known ligand 0.54

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ ACE P12821 2/20 0.50
▸ GAA P10253 2/20 0.48
▸ POLB P06746 2/20 0.48
▸ RAB9A P51151 1/20 0.48
▸ HSD17B10 Q99714 1/20 0.44
▸ TSHR P16473 1/20 0.39
▸ SMN1; SMN2 Q16637 1/20 0.39
▸ FFAR2 O15552 3/20 0.39
▸ KMT2A Q03164 2/20 0.37
▸ ALDH1A1 P00352 2/20 0.36
▸ MEN1 O00255 1/20 0.36
▸ LMNA P02545 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
SCHEMBL11257852 0.90 ACE (0.55) ACEGAAPOLBRAB9AHSD17B10
SCHEMBL11190621 0.89 FFAR2 (0.48) ACEGAAPOLBRAB9AHSD17B10
SCHEMBL11190294 0.87 ACE (0.50) ACEGAAPOLBRAB9AHSD17B10
SCHEMBL11062771 0.86 ACE (0.67) ACEGAAPOLBRAB9AHSD17B10
SCHEMBL683637 0.86 ACE (0.67) ACEGAAPOLBRAB9AHSD17B10
SCHEMBL11183345 0.86 GAA (0.69) ACEGAAPOLBRAB9AHSD17B10
SCHEMBL10969779 0.81 ACE (0.77) ACEPOLBHSD17B10FFAR2KMT2A
SCHEMBL10979196 0.81 ACE (0.77) ACEPOLBHSD17B10FFAR2KMT2A
SCHEMBL11185062 0.81 ACE (0.77) ACEPOLBHSD17B10FFAR2KMT2A
SCHEMBL11385050 0.80 ACE (0.61) ACEGAAPOLBRAB9AHSD17B10

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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