SCHEMBL7269128

SCHEMBL7269128

CCCC[C@H](NC(=O)[C@@H](CSC[C@@H](O)COS(=O)(=O)c1ccc(C)cc1)Cc1cccc2ccccc12)C(=O)OC(C)(C)C

nearest known ligand 0.44

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ REN P00797 11/20 0.41
▸ CTSS P25774 1/20 0.37
▸ CTSK P43235 1/20 0.37
▸ CYP3A4 P08684 1/20 0.35
▸ ALDH1A1 P00352 1/20 0.35
▸ TSHR P16473 1/20 0.35
▸ MME P08473 1/20 0.34
▸ ACE P12821 1/20 0.34
▸ CPA1 P15085 1/20 0.34
▸ ACE2 Q9BYF1 1/20 0.34
▸ PSMB8 P28062 1/20 0.34
▸ PSMB5 P28074 1/20 0.34

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
SCHEMBL7269124 1.00 REN (0.41) RENCTSSCTSKCYP3A4ALDH1A1
SCHEMBL7267650 0.91 REN (0.43) RENCTSSCTSKALDH1A1TSHR
SCHEMBL7278341 0.87 CTSK (0.42) RENCTSSCTSKCYP3A4MME
SCHEMBL7278347 0.87 CTSK (0.42) RENCTSSCTSKCYP3A4MME
SCHEMBL7278196 0.86 CTSK (0.41) RENCTSSCTSKCYP3A4MME
SCHEMBL7278187 0.86 CTSK (0.41) RENCTSSCTSKCYP3A4MME
SCHEMBL7269058 0.85 CTSK (0.41) RENCTSSCTSKCYP3A4MME
SCHEMBL7269132 0.85 CTSK (0.41) RENCTSSCTSKCYP3A4MME
SCHEMBL7269141 0.85 CTSK (0.41) RENCTSSCTSKCYP3A4MME
SCHEMBL7269047 0.85 CTSK (0.41) RENCTSSCTSKCYP3A4MME

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
EP-0377139-B1 N-substituted acylamino acid compounds, process for their production and their use BANYU PHARMA CO LTD (JP) 1995-07-12 — — EP disclosed
EP-0377139-A1 N-substituted acylamino acid compounds, process for their production and their use Banyu Pharmaceutical Co., Ltd. (JP) 1990-07-11 — — EP disclosed
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