SCHEMBL28040458

SCHEMBL28040458

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

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC7A5 Q01650 4/20 0.65
ALOX15 P16050 2/20 0.65
HSD17B10 Q99714 2/20 0.65
PTGS1 P23219 2/20 0.65
KDM4E B2RXH2 1/20 0.65
USP2 O75604 1/20 0.65
EGFR P00533 1/20 0.65
LCK P06239 1/20 0.65
FYN P06241 1/20 0.65
ADORA3 P0DMS8 1/20 0.65
HTR2A P28223 1/20 0.65
PTGS2 P35354 1/20 0.65
RECQL P46063 1/20 0.65
HIF1A Q16665 1/20 0.65
TDP1 Q9NUW8 1/20 0.65
GRM4 Q14833 4/20 0.64
GRM8 O00222 3/20 0.53
GRM6 O15303 3/20 0.53
GRM7 Q14831 2/20 0.53
ALDH1A1 P00352 1/20 0.51

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
SCHEMBL4502044 1.00 SLC7A5 (0.65) SLC7A5ALOX15HSD17B10PTGS1KDM4E
SCHEMBL38175 1.00 SLC7A5 (0.65) SLC7A5ALOX15HSD17B10PTGS1KDM4E
SCHEMBL28040459 1.00 SLC7A5 (0.65) SLC7A5ALOX15HSD17B10PTGS1KDM4E
SCHEMBL108202 1.00 SLC7A5 (0.65) SLC7A5ALOX15HSD17B10PTGS1KDM4E
SCHEMBL1589004 1.00 SLC7A5 (0.65) SLC7A5ALOX15HSD17B10PTGS1KDM4E
Tetranitromethane SCHEMBL27519009 0.93 GRM4 (0.58) SLC7A5ALOX15HSD17B10PTGS1KDM4E
Phenol SCHEMBL29144981 0.93 GRM4 (0.58) SLC7A5ALOX15HSD17B10PTGS1KDM4E
SCHEMBL16915278 0.92 GRM4 (0.57) SLC7A5ALOX15HSD17B10PTGS1KDM4E
SCHEMBL16915277 0.92 GRM4 (0.57) SLC7A5ALOX15HSD17B10PTGS1KDM4E
Norleucine SCHEMBL27238061 0.89 GRM4 (0.59) SLC7A5ALOX15HSD17B10PTGS1KDM4E

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
CN-105212225-A A kind of rosemary Halth-care composition being applied to cardiovascular and cerebrovascular disease UNIV BEIJING TECHNOLOGY 2016-01-06 CN disclosed