SCHEMBL8613602

SCHEMBL8613602

CC(C)C[C@H](NCCc1ccccc1)C(=O)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)C(CCOCc1ccccc1)NC(=O)OC(C)(C)C

nearest known ligand 0.51

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
REN P00797 14/20 0.51
CTSS P25774 1/20 0.48
CTSK P43235 1/20 0.48
PPARA Q07869 1/20 0.47
MMP8 P22894 1/20 0.46

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
SCHEMBL8613586 0.90 REN (0.59) RENCTSSCTSK
SCHEMBL8616116 0.89 REN (0.55) RENCTSSCTSK
Hydrochloric Acid SCHEMBL8613309 0.86 ERAP2 (0.47) MMP8
SCHEMBL8617359 0.86 REN (0.51) RENCTSSCTSKPPARA
SCHEMBL8616604 0.83 CA5A (0.57) RENCTSSCTSK
SCHEMBL8620136 0.82 REN (0.60) RENCTSK
SCHEMBL8614417 0.82 MMP3 (0.54) REN
SCHEMBL8615395 0.81 REN (0.53) RENCTSSCTSK
SCHEMBL8612906 0.81 REN (0.55) RENCTSK
SCHEMBL8617115 0.80 REN (0.51) RENCTSSCTSKPPARA

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
EP-0838471-A1 PEPTIDE DERIVATIVES AND ANGIOTENSIN IV RECEPTOR AGONIST SAGAMI CHEMICAL RESEARCH CENTER (JP) 1998-04-29 EP disclosed