SCHEMBL7565004

SCHEMBL7565004

N[C@@H](CCC(=O)OC(C(=O)O)c1ccccc1[N+](=O)[O-])C(=O)O

nearest known ligand 0.48

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 3/20 0.47
TSHR P16473 1/20 0.47
GRM4 Q14833 4/20 0.47
GRM8 O00222 3/20 0.47
ALDH1A1 P00352 1/20 0.42
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
LTA4H P09960 2/20 0.38

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
SCHEMBL7567942 0.84 CYP1A2 (0.48) CYP1A2TSHRGRM4GRM8ALDH1A1
SCHEMBL12278883 0.79 MAPT (0.37) GRM4GRM8MEN1KMT2A
SCHEMBL17094769 0.77 CYP1A2 (0.43) CYP1A2TSHRALDH1A1
SCHEMBL7877336 0.76 CYP1A2 (0.55) CYP1A2TSHRALDH1A1
SCHEMBL15346298 0.76 GRM4 (0.41) CYP1A2TSHRGRM4GRM8ALDH1A1
SCHEMBL15346295 0.76 CYP1A2 (0.41) CYP1A2TSHRGRM4GRM8ALDH1A1
SCHEMBL14735892 0.75 CYP1A2 (0.61) CYP1A2TSHRALDH1A1MEN1KMT2A
SCHEMBL14733944 0.74 ALDH1A1 (0.55) CYP1A2TSHRALDH1A1
SCHEMBL29966092 0.74 ALDH1A1 (0.46) CYP1A2TSHRGRM4GRM8ALDH1A1
Hydrochloric Acid SCHEMBL28879328 0.73 ALDH1A1 (0.45) CYP1A2TSHRGRM4GRM8ALDH1A1

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
WO-2002074176-A1 METHODS FOR MODULATING NEURAL ACTIVITY IN THE RETINA UNIVERSITY OF WASHINGTON (US) 2002-09-26 WO claimed