SCHEMBL9506341

SCHEMBL9506341

NC(Cc1ccc(O)c(F)c1)C(=O)OC(=O)C(N)Cc1ccc(O)c(Cl)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC7A5 Q01650 3/20 0.44
HSD17B10 Q99714 2/20 0.44
KDM4E B2RXH2 1/20 0.44
USP2 O75604 1/20 0.44
EGFR P00533 1/20 0.44
LCK P06239 1/20 0.44
FYN P06241 1/20 0.44
ADORA3 P0DMS8 1/20 0.44
ALOX15 P16050 1/20 0.44
PTGS1 P23219 1/20 0.44
HTR2A P28223 1/20 0.44
PTGS2 P35354 1/20 0.44
RECQL P46063 1/20 0.44
HIF1A Q16665 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
CA2 P00918 7/20 0.43
ALB P02768 1/20 0.39
IL2 P60568 1/20 0.39
PIK3CA P42336 1/20 0.39
CA1 P00915 3/20 0.37

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
SCHEMBL9506322 0.86 SLC7A5 (0.61) SLC7A5HSD17B10KDM4EUSP2EGFR
SCHEMBL5146262 0.85 SLC7A5 (0.48) SLC7A5HSD17B10KDM4EUSP2EGFR
SCHEMBL11252319 0.81 ALDH1A1 (0.51) SLC7A5HSD17B10KDM4EUSP2EGFR
SCHEMBL11252329 0.81 ALDH1A1 (0.51) SLC7A5HSD17B10KDM4EUSP2EGFR
SCHEMBL5144506 0.81 CA2 (0.51) SLC7A5HSD17B10KDM4EUSP2EGFR
SCHEMBL15105379 0.81 CA2 (0.51) SLC7A5HSD17B10KDM4EUSP2EGFR
SCHEMBL5144504 0.81 CA2 (0.51) SLC7A5HSD17B10KDM4EUSP2EGFR
SCHEMBL30611537 0.81 CA2 (0.51) SLC7A5HSD17B10KDM4EUSP2EGFR
Hydrochloric Acid SCHEMBL7036906 0.80 ALDH1A1 (0.53) SLC7A5HSD17B10KDM4EUSP2EGFR
Hydrochloric Acid SCHEMBL7036902 0.80 ALDH1A1 (0.53) SLC7A5HSD17B10KDM4EUSP2EGFR

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-0556405-A1 PSEUDOPENTAPEPTIDES WITH IMMUNOMODULATING ACTIVITY Japan Tobacco Inc. (JP) 1993-08-25 EP disclosed
WO-1993004080-A1 PSEUDOPENTAPEPTIDES WITH IMMUNOMODULATING ACTIVITY JAPAN TOBACCO INC. (JP) 1993-03-04 WO disclosed