SCHEMBL5383425

SCHEMBL5383425

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

nearest known ligand 0.67

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
NMBR P28336 2/20 0.67
MAPT P10636 2/20 0.65
LMNA P02545 1/20 0.65
GAA P10253 1/20 0.65
HTT P42858 1/20 0.65
SIRT5 Q9NXA8 1/20 0.60
TACR1 P25103 1/20 0.58
CTSB P07858 1/20 0.58
CTSK P43235 1/20 0.58
REN P00797 1/20 0.57
MME P08473 2/20 0.56
ECE1 P42892 2/20 0.56
MMP2 P08253 2/20 0.56
MMP9 P14780 2/20 0.56
MMP8 P22894 2/20 0.56
MMP14 P50281 2/20 0.56
IL1RN P18510 1/20 0.56
ERAP2 Q6P179 1/20 0.56
ERAP1 Q9NZ08 1/20 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
SCHEMBL5374307 0.95 NMBR (0.65) NMBRMAPTLMNAGAAHTT
SCHEMBL5379085 0.94 NMBR (0.68) NMBRMAPTLMNAGAAHTT
SCHEMBL14595064 0.93 NMBR (0.74) NMBRMAPTLMNAGAAHTT
SCHEMBL5380441 0.93 NMBR (0.74) NMBRMAPTLMNAGAAHTT
SCHEMBL5379426 0.92 MMP2 (0.66) NMBRMAPTLMNAGAAHTT
SCHEMBL5380023 0.92 NMBR (0.71) NMBRMAPTLMNAGAAHTT
SCHEMBL11765479 0.92 NMBR (0.71) NMBRMAPTLMNAGAAHTT
SCHEMBL14027229 0.92 NMBR (0.71) NMBRMAPTLMNAGAAHTT
SCHEMBL16617130 0.92 NMBR (0.71) NMBRMAPTLMNAGAAHTT
SCHEMBL17319524 0.91 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