SCHEMBL11190490

SCHEMBL11190490

C[C@H](CSSC[C@@H](C)C(=O)N1C(c2cccc(OC(=O)c3ccccc3)c2)SC[C@H]1C(=O)O)C(=O)N1C(c2cccc(OC(=O)c3ccccc3)c2)SC[C@H]1C(=O)O

nearest known ligand 0.42

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ HTT P42858 1/20 0.42
▸ FFAR2 O15552 4/20 0.42
▸ POLB P06746 1/20 0.39
▸ GAA P10253 1/20 0.39
▸ RAB9A P51151 1/20 0.39
▸ HSD17B10 Q99714 1/20 0.38
▸ KMT2A Q03164 1/20 0.37

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
SCHEMBL11066444 0.81 ACE (0.43) HTTFFAR2HSD17B10KMT2A
SCHEMBL11190505 0.80 HTT (0.39) HTTFFAR2KMT2A
SCHEMBL11199902 0.79 SMN1; SMN2 (0.42) HTTFFAR2POLBHSD17B10KMT2A
SCHEMBL11110226 0.78 ACE (0.53) FFAR2POLBGAARAB9AHSD17B10
SCHEMBL11186430 0.78 ALDH1A1 (0.44) FFAR2POLBGAARAB9AHSD17B10
SCHEMBL11185141 0.78 GAA (0.66) HTTFFAR2POLBGAARAB9A
SCHEMBL11184570 0.77 POLB (0.47) FFAR2POLBGAARAB9AHSD17B10
SCHEMBL11262988 0.76 POLB (0.48) FFAR2POLBGAARAB9AHSD17B10
SCHEMBL11190545 0.76 POLB (0.45) HTTFFAR2POLBGAARAB9A
SCHEMBL11201160 0.76 GAA (0.47) FFAR2POLBGAARAB9A

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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