SCHEMBL9023280

SCHEMBL9023280

CCc1c(CCO)cc(NCC(O)CO)c([N+](=O)[O-])c1N

nearest known ligand 0.37

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.37
GLA P06280 1/20 0.36
POLB P06746 1/20 0.36
HTT P42858 1/20 0.36
GRIN2D O15399 1/20 0.32
GRIN3B O60391 1/20 0.32
GRIN1 Q05586 1/20 0.32
GRIN2A Q12879 1/20 0.32
GRIN2B Q13224 1/20 0.32
GRIN2C Q14957 1/20 0.32
GRIN3A Q8TCU5 1/20 0.32
GAA P10253 2/20 0.31
TDP1 Q9NUW8 1/20 0.31
ALDH1A1 P00352 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30

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
SCHEMBL210590 0.85 MAPT (0.43) MAPTPOLBHTTGRIN2DGRIN3B
SCHEMBL9771703 0.71 GLA (0.38) MAPTGLAALDH1A1
SCHEMBL6414085 0.70 MAPT (0.42) MAPTGLAHTTALDH1A1SMN1; SMN2
SCHEMBL9771645 0.70 GLA (0.45) MAPTGLAPOLBHTTGRIN2D
SCHEMBL10577117 0.70 GLA (0.43) MAPTGLAPOLBALDH1A1SMN1; SMN2
SCHEMBL9021281 0.69 RAB9A (0.42) MAPTGLAGAATDP1ALDH1A1
SCHEMBL5175161 0.69 MAPT (0.40) MAPTPOLBGAATDP1ALDH1A1
SCHEMBL9636667 0.68 MAPT (0.35) MAPTPOLBHTT
SCHEMBL10617199 0.68 MAPT (0.48) MAPTGLATDP1ALDH1A1
SCHEMBL9771631 0.67 GLA (0.44) MAPTGLATDP1ALDH1A1

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
EP-0600045-B1 HAIR DYE WELLA AG (DE) 1996-01-24 EP claimed