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Sugi Predict / Compounds / SCHEMBL7876236

SCHEMBL7876236

SCHEMBL7876236

CCOC(=O)CN1C(=O)C(NC(=O)[C@H](COCc2ccccc2)NC(=O)OC(C)(C)C)CSc2cc(C)ccc21

nearest known ligand 0.49

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ SRC P12931 3/20 0.49
▸ KLK7 P49862 2/20 0.47
▸ KLK5 Q9Y337 2/20 0.47
▸ SCN9A Q15858 6/20 0.46
▸ CTSS P25774 1/20 0.45
▸ MME P08473 2/20 0.43
▸ ACE P12821 2/20 0.43
▸ PPARA Q07869 1/20 0.43
▸ MEN1 O00255 1/20 0.41
▸ KMT2A Q03164 1/20 0.41
▸ L3MBTL1 Q9Y468 1/20 0.41

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
SCHEMBL7876237 1.00 SRC (0.49) SRCKLK7KLK5SCN9ACTSS
SCHEMBL7871813 0.94 SRC (0.55) SRCKLK7KLK5SCN9ACTSS
SCHEMBL7871815 0.94 SRC (0.55) SRCKLK7KLK5SCN9ACTSS
SCHEMBL7871804 0.93 SRC (0.49) SRCKLK7KLK5SCN9ACTSS
SCHEMBL7871802 0.93 SRC (0.49) SRCKLK7KLK5SCN9ACTSS
SCHEMBL7876232 0.85 ACE (0.58) SRCKLK7KLK5SCN9ACTSS
SCHEMBL7876234 0.85 ACE (0.58) SRCKLK7KLK5SCN9ACTSS
SCHEMBL7872616 0.82 ACE (0.47) MMEACE
SCHEMBL7872618 0.82 ACE (0.47) MMEACE
SCHEMBL7864412 0.74 ACE (0.56) MMEACE

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6316413-B1 HETEROCYCLIC OLIGOPEPTIDE DERIVATIVES FOURNIER INDUSTRIE ET SANTE (FR) 2001-11-13 — — US disclosed