SCHEMBL8613619

SCHEMBL8613619

CC[C@H](C)[C@H](NCc1ccc(C)cc1)C(=O)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](NC(=O)OCc1ccccc1)C(C)C

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTSD P07339 3/20 0.53
CTSB P07858 5/20 0.50
CTSK P43235 5/20 0.50
CASP3 P42574 2/20 0.50
CASP7 P55210 1/20 0.50
CTSL P07711 2/20 0.48
CTSS P25774 1/20 0.48
CASP1 P29466 2/20 0.48
CASP9 P55211 1/20 0.48
TRPM8 Q7Z2W7 1/20 0.47
REN P00797 1/20 0.47
MEN1 O00255 1/20 0.47
LMNA P02545 1/20 0.47
KMT2A Q03164 1/20 0.47
CYP3A4 P08684 1/20 0.45
CYP2D6 P10635 1/20 0.45
CYP2C9 P11712 1/20 0.45
CYP2C19 P33261 1/20 0.45
RAB9A P51151 1/20 0.45
MME P08473 1/20 0.45

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
SCHEMBL8613599 0.97 CTSD (0.56) CTSDCTSBCTSKCASP3CASP7
Hydrochloric Acid SCHEMBL8612178 0.92 CTSD (0.51) CTSDCTSBCTSKCASP3CASP7
SCHEMBL8613765 0.90 CTSB (0.51) CTSDCTSBCTSKCASP3CASP7
SCHEMBL8613805 0.87 CTSB (0.51) CTSDCTSBCTSKCASP3CASP7
SCHEMBL8613317 0.87 CTSB (0.49) CTSDCTSBCTSKCASP3CASP7
SCHEMBL8619113 0.86 CTSB (0.48) CTSDCTSBCTSKCASP3CASP7
SCHEMBL8616545 0.85 CASP3 (0.53) CTSDCTSBCTSKCASP3CASP7
SCHEMBL8614984 0.84 CTSD (0.49) CTSDCTSBCTSKCTSLCTSS
SCHEMBL8614145 0.84 CTSB (0.60) CTSDCTSBCTSKCASP3CASP7
SCHEMBL8614143 0.84 CTSB (0.60) CTSDCTSBCTSKCASP3CASP7

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