SCHEMBL8617115

SCHEMBL8617115

CC(C)C[C@H](NCCc1ccccc1)C(=O)NC(=O)[C@H](Cc1ccc([N+](=O)[O-])cc1)NC(=O)OC(C)(C)C

nearest known ligand 0.51

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
REN P00797 8/20 0.51
CTSL P07711 5/20 0.49
CTSS P25774 3/20 0.49
CTSK P43235 2/20 0.49
CTSB P07858 1/20 0.49
CA2 P00918 1/20 0.48
PPARG P37231 1/20 0.47
PPARA Q07869 1/20 0.47
ITGA4 P13612 1/20 0.47
ITGB7 P26010 1/20 0.47
BCL2 P10415 1/20 0.47

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
SCHEMBL8614579 0.92 REN (0.55) RENCTSLCTSK
SCHEMBL18830579 0.86 CTSS (0.61) CTSLCTSSCTSKCTSBCA2
SCHEMBL8615395 0.84 REN (0.53) RENCTSLCTSSCTSKCTSB
SCHEMBL8616116 0.83 REN (0.55) RENCTSLCTSSCTSKCTSB
Hydrochloric Acid SCHEMBL8618102 0.83 MMP2 (0.48) CTSLCA2ITGA4ITGB7
SCHEMBL6800465 0.82 CTSS (0.58) CTSLCTSSCTSKCTSBCA2
SCHEMBL6800473 0.82 CTSS (0.58) CTSLCTSSCTSKCTSBCA2
SCHEMBL3840582 0.81 PPARG (0.58) RENCTSLCTSSCTSKCTSB
SCHEMBL3821796 0.81 PPARA (0.60) RENCTSLCTSSCTSKCTSB
SCHEMBL9328534 0.81 REN (0.56) RENCTSS

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