SCHEMBL11189268

SCHEMBL11189268

C[C@@H](CN1C(C(=O)O)CSC1c1cccnc1)C(=O)SSC(=O)[C@@H](C)CN1C(C(=O)O)CSC1c1cccnc1

nearest known ligand 0.44

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 4/20 0.44
▸ KDM4E B2RXH2 2/20 0.44
▸ TDP1 Q9NUW8 1/20 0.37
▸ MAPT P10636 2/20 0.36
▸ POLB P06746 2/20 0.36
▸ NPSR1 Q6W5P4 1/20 0.36
▸ BLM P54132 1/20 0.35
▸ ALOX15 P16050 1/20 0.35

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
SCHEMBL11184581 0.87 POLB (0.40) ALDH1A1MAPTPOLB
SCHEMBL11263001 0.81 POLB (0.40) ALDH1A1KDM4EMAPTPOLB
SCHEMBL11199916 0.80 SMN1; SMN2 (0.44) ALDH1A1KDM4EMAPTPOLB
SCHEMBL11202283 0.79 POLB (0.38) ALDH1A1KDM4EMAPTPOLB
SCHEMBL11183987 0.79 GAA (0.57) ALDH1A1POLB
SCHEMBL9250009 0.78 ALDH1A1 (0.54) ALDH1A1KDM4EMAPTPOLBNPSR1
SCHEMBL9250005 0.78 ALDH1A1 (0.54) ALDH1A1KDM4EMAPTPOLBNPSR1
SCHEMBL11190505 0.78 HTT (0.39) ALDH1A1
SCHEMBL11194045 0.78 ACE (0.51) ALDH1A1POLB
SCHEMBL11186430 0.77 ALDH1A1 (0.44) ALDH1A1KDM4EPOLBBLMALOX15

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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