SCHEMBL5872679

SCHEMBL5872679

Nc1ccc(OC(=O)CO)c(N)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.43
MAPT P10636 5/20 0.43
GAA P10253 5/20 0.43
USP2 O75604 3/20 0.43
MEN1 O00255 3/20 0.43
KMT2A Q03164 3/20 0.43
CASP1 P29466 3/20 0.43
KDM4E B2RXH2 3/20 0.43
HTT P42858 2/20 0.43
POLB P06746 2/20 0.43
TP53 P04637 2/20 0.43
CASP7 P55210 2/20 0.43
ATM Q13315 1/20 0.43
PTGDR2 Q9Y5Y4 1/20 0.41
SMN1; SMN2 Q16637 2/20 0.38
HSD17B10 Q99714 2/20 0.38
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
LMNA P02545 2/20 0.37
L3MBTL1 Q9Y468 1/20 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
SCHEMBL27752570 0.84 GAA (0.42) ALDH1A1MAPTGAAUSP2MEN1
SCHEMBL13720135 0.84 GAA (0.50) ALDH1A1MAPTGAAUSP2MEN1
SCHEMBL13719980 0.81 ALDH1A1 (0.51) ALDH1A1MAPTGAAUSP2MEN1
SCHEMBL7758544 0.79 MAPT (0.44) ALDH1A1MAPTGAAUSP2MEN1
SCHEMBL27988300 0.78 KMT2A (0.50) ALDH1A1MAPTGAAUSP2MEN1
SCHEMBL27988636 0.77 ALOX15 (0.55) ALDH1A1MAPTGAAUSP2MEN1
SCHEMBL987450 0.77 ALDH1A1 (0.47) ALDH1A1MAPTGAAUSP2MEN1
SCHEMBL27856267 0.76 ALOX15 (0.49) ALDH1A1MAPTGAAUSP2MEN1
SCHEMBL1470610 0.76 ALOX15 (0.53) ALDH1A1MAPTGAAUSP2MEN1
SCHEMBL1469997 0.76 ALOX15 (0.53) ALDH1A1MAPTGAAUSP2MEN1

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-7132000-B2 Agents for oxidatively dying keratin fibers WELLA AG (DE) 2006-11-07 US disclosed