SCHEMBL9725920

SCHEMBL9725920

CC(C)C[C@H](NOC(C(=O)O)c1ccccc1)C(=O)O

nearest known ligand 0.49

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MME P08473 3/20 0.49
NTSR1 P30989 2/20 0.46
ALDH1A1 P00352 2/20 0.45
MMP9 P14780 1/20 0.44
MMP8 P22894 1/20 0.44
MMP14 P50281 1/20 0.44
LTA4H P09960 1/20 0.43
LMNA P02545 1/20 0.42
GAA P10253 1/20 0.42
MAPK1 P28482 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
SCHEMBL1087101 0.77 KMT2A (0.49) MMEMMP9
SCHEMBL1086444 0.77 KMT2A (0.49) MMEMMP9
SCHEMBL5840489 0.75 MMP2 (0.49) MMP9
SCHEMBL6152839 0.75 MMP2 (0.49) MMP9
SCHEMBL17530042 0.74 MMP9 (0.55) MMEMMP9MMP8MMP14
SCHEMBL17530041 0.74 MMP9 (0.55) MMEMMP9MMP8MMP14
SCHEMBL18722285 0.74 MMP9 (0.55) MMEMMP9MMP8MMP14
SCHEMBL8862571 0.74 MME (0.52) MMELTA4H
SCHEMBL8862574 0.74 MME (0.52) MMELTA4H
SCHEMBL8248672 0.73 FOLH1 (0.55) MMEMMP9MMP8MMP14LTA4H

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
US-5098892-A Angiotensin converting enzyme inhibitors as hypotensive agents TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1992-03-24 US disclosed