SCHEMBL4924646

SCHEMBL4924646

NC(CO)c1ccc(O)cc1[N+](=O)[O-]

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 2/20 0.41
ESR1 P03372 2/20 0.39
ESR2 Q92731 1/20 0.39
GRM8 O00222 1/20 0.39
GRM4 Q14833 1/20 0.39
EGFR P00533 2/20 0.38
ALOX15 P16050 2/20 0.38
MAPK1 P28482 1/20 0.38
HSD17B10 Q99714 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
PDK1 Q15118 1/20 0.36
ALDH1A1 P00352 1/20 0.36
TSHR P16473 1/20 0.36
MEN1 O00255 1/20 0.36
PSMD14 O00487 1/20 0.36
PRKACA P17612 1/20 0.36
CASP6 P55212 1/20 0.36
KMT2A Q03164 1/20 0.36
CA12 O43570 1/20 0.36
CA1 P00915 1/20 0.36

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
SCHEMBL872295 0.88 BACE1 (0.39) BACE1ESR1ESR2GRM8GRM4
SCHEMBL724360 0.73 GRM4 (0.39) BACE1ESR1ESR2GRM8GRM4
SCHEMBL16816921 0.73 GRM4 (0.39) BACE1ESR1ESR2GRM8GRM4
Water SCHEMBL6956683 0.72 GRM8 (0.38) BACE1ESR1ESR2GRM8GRM4
SCHEMBL27786182 0.71 GAA (0.53) GRM8GRM4ALOX15ALDH1A1TSHR
SCHEMBL11266099 0.71 ALOX15 (0.44) BACE1ESR1ESR2EGFRALOX15
SCHEMBL10894653 0.71 HCAR3 (0.56) BACE1MAPK1L3MBTL1ALDH1A1MEN1
SCHEMBL213758 0.70 TSHR (0.56) BACE1ESR1ESR2EGFRALOX15
SCHEMBL29577003 0.70 TSHR (0.56) BACE1ESR1ESR2EGFRALOX15
SCHEMBL9383321 0.70 SNCA (0.48) BACE1ESR1ESR2EGFRALOX15

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-20080189876-A1 Multistep hair color revitalizing kit and associated methods PROCTER & GAMBLE COMPANY, THE 2008-08-14 US disclosed