SCHEMBL11228789

SCHEMBL11228789

CC(=O)Nc1ccc(C2SC[C@@H](C(=O)O)N2C(=O)[C@H](C)CSSC[C@@H](C)C(=O)N2C(c3ccc(NC(C)=O)cc3)SC[C@H]2C(=O)O)cc1

nearest known ligand 0.49

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 2/20 0.47
▸ GAA P10253 1/20 0.47
▸ RAB9A P51151 1/20 0.47
▸ GFER P55789 1/20 0.40
▸ ALDH1A1 P00352 4/20 0.39
▸ LMNA P02545 4/20 0.39
▸ KMT2A Q03164 3/20 0.39
▸ HSD17B10 Q99714 1/20 0.38
▸ MAPT P10636 3/20 0.37
▸ SMN1; SMN2 Q16637 2/20 0.37
▸ MAPK1 P28482 1/20 0.37
▸ MEN1 O00255 2/20 0.37
▸ USP2 O75604 1/20 0.37
▸ HTT P42858 1/20 0.37
▸ FFAR2 O15552 3/20 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
SCHEMBL11100835 0.88 POLB (0.47) POLBGAARAB9AGFER
SCHEMBL11262988 0.86 POLB (0.48) POLBGAARAB9AALDH1A1KMT2A
SCHEMBL11202270 0.83 POLB (0.46) POLBGAARAB9AALDH1A1KMT2A
SCHEMBL11185141 0.83 GAA (0.66) POLBGAARAB9AALDH1A1KMT2A
SCHEMBL11257128 0.77 GAA (0.58) POLBGAARAB9AALDH1A1KMT2A
SCHEMBL11190545 0.77 POLB (0.45) POLBGAARAB9AGFERALDH1A1
SCHEMBL11201160 0.77 GAA (0.47) POLBGAARAB9AFFAR2
SCHEMBL11474215 0.76 POLB (0.47) POLBGAARAB9AALDH1A1HSD17B10
SCHEMBL11474221 0.76 POLB (0.47) POLBGAARAB9AALDH1A1HSD17B10
SCHEMBL11474211 0.76 POLB (0.47) POLBGAARAB9AALDH1A1HSD17B10

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
Send feedback