SCHEMBL11183345

SCHEMBL11183345

COc1ccc(C2SC[C@@H](C(=O)O)N2C(=O)CCSSCCC(=O)N2C(c3ccc(OC)cc3)SC[C@H]2C(=O)O)cc1

nearest known ligand 0.75

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ GAA P10253 2/20 0.69
▸ POLB P06746 2/20 0.69
▸ RAB9A P51151 1/20 0.69
▸ TSHR P16473 1/20 0.56
▸ SMN1; SMN2 Q16637 1/20 0.56
▸ ALDH1A1 P00352 2/20 0.51
▸ FFAR2 O15552 3/20 0.45
▸ ACE P12821 2/20 0.44
▸ HTT P42858 1/20 0.41
▸ HSD17B10 Q99714 1/20 0.41
▸ KMT2A Q03164 3/20 0.40
▸ MEN1 O00255 2/20 0.40
▸ PTGS1 P23219 1/20 0.40
▸ PTGS2 P35354 1/20 0.40
▸ HTR7 P34969 1/20 0.39

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
SCHEMBL10943458 0.88 GAA (0.67) GAAPOLBRAB9ATSHRSMN1; SMN2
SCHEMBL683282 0.87 GAA (0.70) GAAPOLBRAB9ATSHRSMN1; SMN2
SCHEMBL11186340 0.86 ACE (0.50) GAAPOLBRAB9ATSHRSMN1; SMN2
SCHEMBL11257852 0.86 ACE (0.55) GAAPOLBRAB9AALDH1A1FFAR2
SCHEMBL11188904 0.85 GAA (0.51) GAAPOLBRAB9ATSHRSMN1; SMN2
SCHEMBL11190621 0.85 FFAR2 (0.48) GAAPOLBRAB9ATSHRSMN1; SMN2
SCHEMBL11185372 0.84 ACE (0.53) GAAPOLBRAB9ATSHRSMN1; SMN2
SCHEMBL11190294 0.81 ACE (0.50) GAAPOLBRAB9ATSHRSMN1; SMN2
SCHEMBL11185141 0.80 GAA (0.66) GAAPOLBRAB9ATSHRSMN1; SMN2
SCHEMBL11189446 0.79 GAA (0.44) 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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