SCHEMBL11190606

SCHEMBL11190606

C[C@H](CSSC[C@@H](C)C(=O)N1C(c2ccco2)SC[C@H]1C(=O)O)C(=O)N1C(c2ccco2)SC[C@H]1C(=O)O

nearest known ligand 0.51

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ FFAR2 O15552 2/20 0.51
▸ HSD17B10 Q99714 1/20 0.47
▸ POLB P06746 2/20 0.41
▸ KMT2A Q03164 2/20 0.41
▸ KDM4E B2RXH2 1/20 0.41
▸ MEN1 O00255 1/20 0.41
▸ ALDH1A1 P00352 1/20 0.41
▸ MAPT P10636 1/20 0.41
▸ RECQL P46063 1/20 0.41
▸ BLM P54132 1/20 0.41
▸ TDP1 Q9NUW8 1/20 0.41
▸ L3MBTL1 Q9Y468 1/20 0.41
▸ GAA P10253 1/20 0.36
▸ RAB9A P51151 1/20 0.36
▸ ACE P12821 5/20 0.36

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
SCHEMBL11184479 0.89 FFAR2 (0.52) FFAR2HSD17B10POLBKMT2AKDM4E
SCHEMBL11180379 0.88 FFAR2 (0.52) FFAR2HSD17B10POLBKMT2AKDM4E
SCHEMBL11194036 0.79 ACE (0.59) FFAR2POLBALDH1A1ACE
SCHEMBL11194530 0.79 FFAR2 (0.41) FFAR2HSD17B10POLBALDH1A1RECQL
SCHEMBL11262988 0.79 POLB (0.48) FFAR2HSD17B10POLBKMT2AKDM4E
SCHEMBL11184570 0.78 POLB (0.47) FFAR2HSD17B10POLBKMT2AMEN1
SCHEMBL11184480 0.77 FFAR2 (0.52) FFAR2HSD17B10POLBKMT2AKDM4E
SCHEMBL11186430 0.77 ALDH1A1 (0.44) FFAR2HSD17B10POLBKDM4EALDH1A1
SCHEMBL11190617 0.76 FFAR2 (0.44) FFAR2HSD17B10POLBKMT2AKDM4E
SCHEMBL11185141 0.76 GAA (0.66) FFAR2HSD17B10POLBKMT2AMEN1

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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