SCHEMBL9450673

SCHEMBL9450673

CCOC(=O)[C@@H](N)CS.N[C@@H](Cc1ccc(O)c([N+](=O)[O-])c1)C(=O)O

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRM4 Q14833 4/20 0.50
SLC7A5 Q01650 3/20 0.48
KDM4E B2RXH2 2/20 0.48
USP2 O75604 1/20 0.48
EGFR P00533 1/20 0.48
LCK P06239 1/20 0.48
FYN P06241 1/20 0.48
ADORA3 P0DMS8 1/20 0.48
ALOX15 P16050 1/20 0.48
PTGS1 P23219 1/20 0.48
HTR2A P28223 1/20 0.48
PTGS2 P35354 1/20 0.48
RECQL P46063 1/20 0.48
HIF1A Q16665 1/20 0.48
HSD17B10 Q99714 1/20 0.48
TDP1 Q9NUW8 1/20 0.48
ALDH1A1 P00352 2/20 0.47
GRM8 O00222 3/20 0.42
GRM6 O15303 3/20 0.42
GRM7 Q14831 2/20 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
SCHEMBL503583 0.89 ALDH1A1 (0.58) GRM4SLC7A5KDM4EUSP2EGFR
SCHEMBL22972798 0.89 ALDH1A1 (0.58) GRM4SLC7A5KDM4EUSP2EGFR
Hydrochloric Acid SCHEMBL2787874 0.88 ALDH1A1 (0.60) GRM4SLC7A5KDM4EUSP2EGFR
Hydrochloric Acid SCHEMBL3813837 0.88 ALDH1A1 (0.60) GRM4SLC7A5KDM4EUSP2EGFR
SCHEMBL27984876 0.87 GRM4 (0.52) GRM4SLC7A5KDM4EUSP2EGFR
SCHEMBL1589004 0.85 SLC7A5 (0.65) GRM4SLC7A5KDM4EUSP2EGFR
SCHEMBL28040458 0.85 SLC7A5 (0.65) GRM4SLC7A5KDM4EUSP2EGFR
SCHEMBL108202 0.85 SLC7A5 (0.65) GRM4SLC7A5KDM4EUSP2EGFR
SCHEMBL4502044 0.85 SLC7A5 (0.65) GRM4SLC7A5KDM4EUSP2EGFR
SCHEMBL28040459 0.85 SLC7A5 (0.65) GRM4SLC7A5KDM4EUSP2EGFR

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
EP-0547065-A4 MELANIN PRODUCTION BY TRANSFORMED MICROORGANISMS 1993-09-15 EP disclosed
EP-0547065-A1 MELANIN PRODUCTION BY TRANSFORMED MICROORGANISMS Biosource Technologies, Inc. (US) 1993-06-23 EP disclosed
WO-1992000373-A1 MELANIN PRODUCTION BY TRANSFORMED MICROORGANISMS BIOSOURCE GENETICS CORPORATION (CA) 1992-01-09 WO disclosed