SCHEMBL9498909

SCHEMBL9498909

COC(=O)C(C)NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)C(Cc1c[nH]cn1)NC(=O)OCc1ccccc1

nearest known ligand 0.62

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
NMBR P28336 4/20 0.62
MAPT P10636 2/20 0.60
LMNA P02545 1/20 0.60
GAA P10253 1/20 0.60
HTT P42858 1/20 0.60
REN P00797 2/20 0.57
MMP9 P14780 5/20 0.56
MMP8 P22894 5/20 0.56
MMP2 P08253 4/20 0.56
MMP14 P50281 4/20 0.56
SIRT5 Q9NXA8 1/20 0.55
CA2 P00918 1/20 0.54
MMP7 P09237 1/20 0.54

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
SCHEMBL9498913 1.00 NMBR (0.62) NMBRMAPTLMNAGAAHTT
SCHEMBL9298108 0.94 NMBR (0.63) NMBRMAPTLMNAGAAHTT
SCHEMBL9696550 0.94 MAPT (0.63) NMBRMAPTLMNAGAAHTT
SCHEMBL9696556 0.94 MAPT (0.63) NMBRMAPTLMNAGAAHTT
SCHEMBL9498114 0.91 NMBR (0.65) NMBRMAPTLMNAGAAHTT
SCHEMBL9498124 0.91 NMBR (0.65) NMBRMAPTLMNAGAAHTT
SCHEMBL9697208 0.91 NMBR (0.73) NMBRMAPTLMNAGAAHTT
SCHEMBL9697204 0.91 NMBR (0.73) NMBRMAPTLMNAGAAHTT
SCHEMBL10984522 0.89 NMBR (0.63) NMBRMAPTLMNAGAAHTT
SCHEMBL10981376 0.87 NMBR (0.60) NMBRMAPTLMNAGAAHTT

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
EP-0540626-A1 PROCESS FOR SYNTHESIZING PEPTIDES EASTMAN CHEMICAL COMPANY (US) 1993-05-12 EP disclosed
WO-1992001709-A1 PROCESS FOR SYNTHESIZING PEPTIDES EASTMAN KODAK COMPANY (US) 1992-02-06 WO disclosed