Sugi Predict

Sugi Predict / Compounds / SCHEMBL11183365

SCHEMBL11183365

SCHEMBL11183365

Cc1ccc(C2SC[C@@H](C(=O)O)N2C(=O)[C@H](C)CSSC(COC(=O)C(C)(C)C)[C@@](C)(COC(=O)C(C)(C)C)C(=O)N2C(c3ccc(C)cc3)SC[C@H]2C(=O)O)cc1

nearest known ligand 0.43

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 1/20 0.38
▸ GAA P10253 1/20 0.38
▸ RAB9A P51151 1/20 0.38
▸ FFAR2 O15552 2/20 0.31
▸ HSD17B10 Q99714 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
SCHEMBL11196868 0.84 HTT (0.32) FFAR2
SCHEMBL11262988 0.79 POLB (0.48) POLBGAARAB9AFFAR2HSD17B10
SCHEMBL11185141 0.73 GAA (0.66) POLBGAARAB9AFFAR2HSD17B10
SCHEMBL11213997 0.73 KMT2A (0.33) POLB
SCHEMBL11068373 0.71 KMT2A (0.50) POLBGAARAB9AFFAR2HSD17B10
SCHEMBL11107571 0.71 POLB (0.49) POLBGAARAB9A
SCHEMBL11202270 0.69 POLB (0.46) POLBGAARAB9AFFAR2HSD17B10
SCHEMBL11184570 0.69 POLB (0.47) POLBGAARAB9AFFAR2HSD17B10
SCHEMBL11257128 0.68 GAA (0.58) POLBGAARAB9AFFAR2HSD17B10
SCHEMBL11228789 0.68 POLB (0.47) POLBGAARAB9AFFAR2HSD17B10

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