SCHEMBL11188904

SCHEMBL11188904

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

nearest known ligand 0.55

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ GAA P10253 2/20 0.51
▸ POLB P06746 2/20 0.51
▸ RAB9A P51151 1/20 0.51
▸ TSHR P16473 1/20 0.43
▸ SMN1; SMN2 Q16637 1/20 0.43
▸ ALDH1A1 P00352 2/20 0.40
▸ FFAR2 O15552 4/20 0.36
▸ ACE P12821 2/20 0.34
▸ HTT P42858 1/20 0.33
▸ MEN1 O00255 1/20 0.32
▸ KMT2A Q03164 1/20 0.32
▸ HSD17B10 Q99714 1/20 0.32
▸ PTGS1 P23219 1/20 0.31
▸ PTGS2 P35354 1/20 0.31
▸ HTR7 P34969 1/20 0.30

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
SCHEMBL11183345 0.85 GAA (0.69) GAAPOLBRAB9ATSHRSMN1; SMN2
SCHEMBL11196508 0.84 ACE (0.55) POLBALDH1A1FFAR2ACEHTT
SCHEMBL11266045 0.83 ACE (0.41) GAAPOLBRAB9AFFAR2ACE
SCHEMBL11189446 0.76 GAA (0.44) GAAPOLBRAB9ATSHRSMN1; SMN2
SCHEMBL11272093 0.75 — —
SCHEMBL10943458 0.74 GAA (0.67) GAAPOLBRAB9ATSHRSMN1; SMN2
SCHEMBL683282 0.74 GAA (0.70) GAAPOLBRAB9ATSHRSMN1; SMN2
SCHEMBL11186340 0.73 ACE (0.50) GAAPOLBRAB9ATSHRSMN1; SMN2
SCHEMBL11257852 0.73 ACE (0.55) GAAPOLBRAB9AALDH1A1FFAR2
SCHEMBL11190621 0.72 FFAR2 (0.48) 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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