SCHEMBL5374307

SCHEMBL5374307

CCCC[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)OC

nearest known ligand 0.65

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
NMBR P28336 2/20 0.65
MAPT P10636 2/20 0.63
LMNA P02545 1/20 0.63
SIRT5 Q9NXA8 1/20 0.63
GAA P10253 1/20 0.63
HTT P42858 1/20 0.63
CTSB P07858 1/20 0.60
CTSK P43235 1/20 0.60
ERAP2 Q6P179 5/20 0.59
ERAP1 Q9NZ08 4/20 0.59
IL1RN P18510 3/20 0.59
MMP2 P08253 1/20 0.59
MMP9 P14780 1/20 0.59
MMP8 P22894 1/20 0.59
MMP14 P50281 1/20 0.59
TACR1 P25103 1/20 0.57
LNPEP Q9UIQ6 2/20 0.56

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
SCHEMBL5383425 0.95 NMBR (0.67) NMBRMAPTLMNASIRT5GAA
SCHEMBL5380441 0.92 NMBR (0.74) NMBRMAPTLMNASIRT5GAA
SCHEMBL14595064 0.92 NMBR (0.74) NMBRMAPTLMNASIRT5GAA
SCHEMBL5380023 0.90 NMBR (0.71) NMBRMAPTLMNASIRT5GAA
SCHEMBL16617130 0.90 NMBR (0.71) NMBRMAPTLMNASIRT5GAA
SCHEMBL11765479 0.90 NMBR (0.71) NMBRMAPTLMNASIRT5GAA
SCHEMBL14027229 0.90 NMBR (0.71) NMBRMAPTLMNASIRT5GAA
SCHEMBL1318661 0.90 NMBR (0.73) NMBRMAPTLMNAGAAHTT
SCHEMBL29401413 0.90 NMBR (0.73) NMBRMAPTLMNAGAAHTT
SCHEMBL17319524 0.90 NMBR (0.73) 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7163671-B2 Long-term stabilized formulations CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2007-01-16 US disclosed
US-20030092622-A1 Preparation stabilized over long time CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2003-05-15 US disclosed
EP-1260230-A1 PREPARATIONS STABILIZED OVER LONG TIME CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2002-11-27 EP disclosed