SCHEMBL20099708

SCHEMBL20099708

CC(=O)CC[C@H](NC(=O)Cc1ccc(-c2ccc(Cl)cc2)cc1)C(=O)O

nearest known ligand 0.50

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.50
CNR2 P34972 5/20 0.49
ALDH1A1 P00352 2/20 0.48
HPGD P15428 2/20 0.48
MAPT P10636 1/20 0.48
GPR34 Q9UPC5 1/20 0.47
MMP2 P08253 1/20 0.47
MMP9 P14780 1/20 0.47
PPARA Q07869 3/20 0.45
FOLH1 Q04609 1/20 0.45
SHMT1 P34896 1/20 0.44
SHMT2 P34897 1/20 0.44
PSMB8 P28062 1/20 0.44
PSMB5 P28074 1/20 0.44
UTS2R Q9UKP6 1/20 0.44
MME P08473 1/20 0.43
CNR1 P21554 1/20 0.43
ADAMTS5 Q9UNA0 1/20 0.43
PPARG P37231 1/20 0.42

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
SCHEMBL20130631 0.88 ALDH1A1 (0.49) KMT2ACNR2ALDH1A1HPGDMAPT
SCHEMBL20130665 0.86 KMT2A (0.47) KMT2ACNR2ALDH1A1HPGDMAPT
SCHEMBL20099754 0.84 CNR2 (0.51) KMT2ACNR2ALDH1A1HPGDMAPT
SCHEMBL4923932 0.80 ALDH1A1 (0.60) KMT2AALDH1A1HPGDMAPTMMP2
SCHEMBL4923938 0.80 ALDH1A1 (0.60) KMT2AALDH1A1HPGDMAPTMMP2
SCHEMBL6136364 0.79 CNR2 (0.58) KMT2ACNR2ALDH1A1PSMB8PSMB5
SCHEMBL4916489 0.77 ALDH1A1 (0.57) KMT2AALDH1A1HPGDMAPTMME
SCHEMBL8380872 0.76 CNR2 (0.58) KMT2ACNR2PSMB8PSMB5MME
SCHEMBL12835529 0.76 CNR2 (0.61) KMT2ACNR2ALDH1A1HPGDMAPT
SCHEMBL20126898 0.76 KMT2A (0.50) KMT2ACNR2ALDH1A1HPGDMAPT

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
WO-2018081367-A1 CYCLIC PEPTIDE TYROSINE TYROSINE COMPOUNDS AS MODULATORS OF NEUROPEPTIDE Y RECEPTORS JANSSEN PHARMACEUTICA NV (BE) 2018-05-03 WO disclosed
WO-2018081370-A1 ANTIBODY-COUPLED CYCLIC PEPTIDE TYROSINE TYROSINE COMPOUNDS AS MODULATORS OF NEUROPEPTIDE Y RECEPTORS JANSSEN PHARMACEUTICA NV (BE) 2018-05-03 WO disclosed