SCHEMBL9854731

SCHEMBL9854731

CC(C)C[C@H](NC(=O)CCc1ccc2ccccc2c1)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O

nearest known ligand 0.52

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
FCER2 P06734 2/20 0.52
MMP1 P03956 2/20 0.52
REN P00797 1/20 0.51
KISS1R Q969F8 4/20 0.51
PTPN1 P18031 6/20 0.49
MMP2 P08253 3/20 0.49
MMP9 P14780 3/20 0.49
MMP8 P22894 3/20 0.49
PTPN2 P17706 1/20 0.49
PTPRA P18433 1/20 0.49
PTPN6 P29350 1/20 0.49
PTPN11 Q06124 1/20 0.49
PSMB1 P20618 1/20 0.48
PSMB5 P28074 1/20 0.48
PSMB2 P49721 1/20 0.48

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
SCHEMBL9854720 0.87 MMP2 (0.51) FCER2MMP1RENKISS1RPTPN1
SCHEMBL9854705 0.85 MMP1 (0.50) FCER2MMP1RENKISS1RPTPN1
SCHEMBL9854712 0.84 REN (0.52) FCER2MMP1RENKISS1RPTPN1
SCHEMBL9854702 0.80 KISS1R (0.67) KISS1R
SCHEMBL7442999 0.79 PSMB5 (0.60) FCER2MMP1RENKISS1RPTPN1
SCHEMBL9101456 0.79 PRSS1 (0.52) PTPN1PTPN2
SCHEMBL21930742 0.78 UTS2R (0.51) FCER2PTPN1PTPN2
SCHEMBL20816946 0.78 FCER2 (0.52) FCER2MMP1RENKISS1RPTPN1
SCHEMBL20816950 0.78 FCER2 (0.52) FCER2MMP1RENKISS1RPTPN1
SCHEMBL20816634 0.78 FCER2 (0.52) FCER2MMP1RENKISS1RPTPN1

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-0405506-A1 Tetrapeptide type-B CCK receptor ligands ABBOTT LABORATORIES (US) 1991-01-02 EP disclosed