SCHEMBL11219804

SCHEMBL11219804

C[C@@H](CN1C(C(=O)O)CSC1c1cc(Cl)ccc1O)C(=O)SSC(=O)[C@@H](C)CN1C(C(=O)O)CSC1c1cc(Cl)ccc1O

nearest known ligand 0.36

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ ACE P12821 2/20 0.36
▸ LMNA P02545 1/20 0.36
▸ FFAR2 O15552 5/20 0.32
▸ HTT P42858 1/20 0.32
▸ MAOA P21397 1/20 0.32
▸ MAOB P27338 1/20 0.32
▸ ALDH1A1 P00352 2/20 0.32
▸ POLB P06746 2/20 0.32
▸ HPGD P15428 1/20 0.32
▸ P2RX7 Q99572 1/20 0.32
▸ MEN1 O00255 1/20 0.31
▸ KMT2A Q03164 1/20 0.31
▸ CYP1A2 P05177 1/20 0.31
▸ CYP3A4 P08684 1/20 0.31
▸ CYP2D6 P10635 1/20 0.31
▸ CYP2C19 P33261 1/20 0.31

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
SCHEMBL11194045 0.85 ACE (0.51) ACELMNAFFAR2HTTALDH1A1
SCHEMBL11201178 0.78 GAA (0.42) FFAR2POLB
SCHEMBL11219793 0.78 ACE (0.43) ACELMNAFFAR2HTT
SCHEMBL11104668 0.76 ACE (0.48) ACELMNAFFAR2
SCHEMBL11263001 0.76 POLB (0.40) ACEFFAR2ALDH1A1POLBHPGD
SCHEMBL11184581 0.75 POLB (0.40) FFAR2ALDH1A1POLBHPGDMEN1
SCHEMBL11190617 0.74 FFAR2 (0.44) ACELMNAFFAR2ALDH1A1POLB
SCHEMBL11202283 0.74 POLB (0.38) FFAR2ALDH1A1POLBHPGDMEN1
SCHEMBL11183987 0.74 GAA (0.57) FFAR2ALDH1A1POLBMEN1KMT2A
SCHEMBL11104265 0.73 ACE (0.46) ACELMNAFFAR2HTTKMT2A

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
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