SCHEMBL8614468

SCHEMBL8614468

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

nearest known ligand 0.61

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MMP8 P22894 4/20 0.61
MMP2 P08253 3/20 0.61
MMP9 P14780 3/20 0.61
PSMB1 P20618 1/20 0.53
PSMB5 P28074 1/20 0.53
PSMB2 P49721 1/20 0.53
CA5A P35218 1/20 0.53
OPRM1 P35372 2/20 0.53
OPRD1 P41143 2/20 0.53
ANPEP P15144 1/20 0.53
OPRK1 P41145 1/20 0.51
NPY4R P50391 3/20 0.50
NPY1R P25929 2/20 0.50
NPY2R P49146 2/20 0.50
NPY5R Q15761 2/20 0.50
ERAP2 Q6P179 1/20 0.50
ERAP1 Q9NZ08 1/20 0.50
LNPEP Q9UIQ6 1/20 0.50
ACE P12821 1/20 0.50

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
Hydrochloric Acid SCHEMBL8612979 0.94 MMP8 (0.57) MMP8MMP2MMP9OPRM1OPRD1
SCHEMBL1077489 0.88 KMT2A (0.60) MMP8MMP2MMP9PSMB1PSMB5
Hydrochloric Acid SCHEMBL8615559 0.88 MMP8 (0.59) MMP8MMP2MMP9PSMB1PSMB5
Hydrochloric Acid SCHEMBL8617113 0.88 MMP8 (0.52) MMP8MMP2MMP9CA5AOPRM1
SCHEMBL8612894 0.88 MMP8 (0.62) MMP8MMP2MMP9CA5AOPRM1
Hydrochloric Acid SCHEMBL8612744 0.87 MMP8 (0.61) MMP8MMP2MMP9CA5AOPRM1
Hydrochloric Acid SCHEMBL8620919 0.87 CTSL (0.53) MMP8MMP2MMP9OPRM1OPRD1
SCHEMBL8616218 0.85 LNPEP (0.55) MMP8MMP2MMP9ANPEPLNPEP
SCHEMBL8616206 0.85 LNPEP (0.55) MMP8MMP2MMP9ANPEPLNPEP
SCHEMBL30797998 0.85 FOLH1 (0.65) OPRM1OPRD1NPY4RNPY1RNPY2R

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