SCHEMBL11191864

SCHEMBL11191864

CC(=O)Oc1ccccc1C1SC[C@@H](C(=O)O)N1C(=O)CCSSCCC(=O)N1C(c2ccccc2OC(C)=O)SC[C@H]1C(=O)O

nearest known ligand 0.53

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ ACE P12821 2/20 0.53
▸ FFAR2 O15552 10/20 0.45
▸ LMNA P02545 1/20 0.41
▸ HTT P42858 1/20 0.41
▸ POLB P06746 2/20 0.39
▸ GAA P10253 1/20 0.39
▸ RAB9A P51151 1/20 0.39
▸ ALDH1A1 P00352 1/20 0.39
▸ HPGD P15428 1/20 0.39

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
SCHEMBL10999352 0.92 ACE (0.52) ACEFFAR2LMNAHTTPOLB
SCHEMBL11195287 0.90 ACE (0.52) ACEFFAR2LMNAHTTPOLB
SCHEMBL10944250 0.89 ACE (0.53) ACEFFAR2LMNAHTTPOLB
SCHEMBL10995338 0.87 ACE (0.47) ACEFFAR2LMNA
SCHEMBL11267042 0.82 ACE (0.53) ACEFFAR2LMNAHTTPOLB
SCHEMBL10969779 0.82 ACE (0.77) ACEFFAR2LMNAHTTPOLB
SCHEMBL10979196 0.82 ACE (0.77) ACEFFAR2LMNAHTTPOLB
SCHEMBL11185062 0.82 ACE (0.77) ACEFFAR2LMNAHTTPOLB
SCHEMBL11075093 0.82 ACE (0.54) ACEFFAR2LMNAHTTPOLB
SCHEMBL10999357 0.82 ACE (0.49) ACEFFAR2LMNAHTTPOLB

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4347371-A HYPERTENSIVE AGENTS; ANTIDIABETIC AGENTS; VISION DEFECTS SANTEN PHARMACEUTICAL CO., LTD. (JP) 1982-08-31 — — US claimed
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