SCHEMBL11211523

SCHEMBL11211523

COc1ccc(C2SC[C@@H](C(=O)O)N2C(=O)[C@H](C)CS)cc1

nearest known ligand 0.67

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ GAA P10253 2/20 0.67
▸ POLB P06746 1/20 0.67
▸ RAB9A P51151 1/20 0.67
▸ TSHR P16473 1/20 0.50
▸ SMN1; SMN2 Q16637 1/20 0.50
▸ ALDH1A1 P00352 1/20 0.50
▸ FFAR2 O15552 3/20 0.45
▸ ACE P12821 4/20 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
SCHEMBL11185141 0.88 GAA (0.66) GAAPOLBRAB9ATSHRSMN1; SMN2
SCHEMBL11107571 0.87 POLB (0.49) GAAPOLBRAB9AACE
SCHEMBL11100929 0.87 HSD17B10 (0.52) GAAPOLBRAB9AFFAR2ACE
SCHEMBL11200469 0.86 POLB (0.48) GAAPOLBRAB9AACE
SCHEMBL11244020 0.86 POLB (0.48) GAAPOLBRAB9AACE
SCHEMBL11258909 0.84 POLB (0.46) GAAPOLBRAB9AACE
SCHEMBL11107129 0.84 POLB (0.46) GAAPOLBRAB9AACE
SCHEMBL11109577 0.84 GAA (0.47) GAAPOLBRAB9ATSHRFFAR2
SCHEMBL11100835 0.83 POLB (0.47) GAAPOLBRAB9AACE
SCHEMBL11257128 0.82 GAA (0.58) GAAPOLBRAB9ATSHRSMN1; SMN2

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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