SCHEMBL11190621

SCHEMBL11190621

O=C(O)[C@@H]1CSC(c2ccc(Cl)cc2)N1C(=O)CCSSCCC(=O)N1C(c2ccc(Cl)cc2)SC[C@H]1C(=O)O

nearest known ligand 0.53

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ FFAR2 O15552 8/20 0.48
▸ POLB P06746 2/20 0.47
▸ MEN1 O00255 1/20 0.47
▸ ALDH1A1 P00352 1/20 0.47
▸ KMT2A Q03164 1/20 0.47
▸ GAA P10253 2/20 0.47
▸ RAB9A P51151 1/20 0.47
▸ ACE P12821 2/20 0.46
▸ LMNA P02545 1/20 0.46
▸ HSD17B10 Q99714 1/20 0.43
▸ TSHR P16473 1/20 0.39
▸ SMN1; SMN2 Q16637 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
SCHEMBL11186340 0.89 ACE (0.50) FFAR2POLBMEN1ALDH1A1KMT2A
SCHEMBL11257852 0.89 ACE (0.55) FFAR2POLBMEN1ALDH1A1KMT2A
SCHEMBL10945275 0.87 FFAR2 (0.48) FFAR2POLBMEN1ALDH1A1KMT2A
SCHEMBL11190530 0.86 ACE (0.62) FFAR2POLBMEN1ALDH1A1KMT2A
SCHEMBL11183345 0.85 GAA (0.69) FFAR2POLBMEN1ALDH1A1KMT2A
SCHEMBL11190294 0.83 ACE (0.50) FFAR2POLBKMT2AGAARAB9A
SCHEMBL11192570 0.81 LMNA (0.61) FFAR2POLBALDH1A1ACELMNA
SCHEMBL11385050 0.79 ACE (0.61) FFAR2POLBMEN1ALDH1A1KMT2A
SCHEMBL10939993 0.78 ACE (0.57) FFAR2POLBMEN1ALDH1A1KMT2A
SCHEMBL10979196 0.77 ACE (0.77) FFAR2POLBALDH1A1KMT2AACE

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