SCHEMBL8657580

SCHEMBL8657580

CC(O)CNc1ccc(NCCCO)c([N+](=O)[O-])c1

nearest known ligand 0.51

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.51
ALDH1A1 P00352 5/20 0.47
HCAR3 P49019 2/20 0.47
KAT2B Q92831 3/20 0.47
PRSS1 P07477 4/20 0.46
TSHR P16473 1/20 0.45
TDP1 Q9NUW8 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
POLB P06746 1/20 0.44
PKM P14618 1/20 0.44
BCL6 P41182 1/20 0.44
BCOR Q6W2J9 1/20 0.44
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44

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
SCHEMBL8641240 0.95 MAPT (0.54) MAPTALDH1A1HCAR3KAT2BPRSS1
SCHEMBL10534535 0.88 MAPT (0.56) MAPTALDH1A1HCAR3TSHRTDP1
SCHEMBL8645160 0.87 ALDH1A1 (0.57) MAPTALDH1A1HCAR3KAT2BPRSS1
SCHEMBL7031913 0.84 ALDH1A1 (0.61) MAPTALDH1A1HCAR3KAT2BPRSS1
SCHEMBL8645124 0.84 ALDH1A1 (0.61) MAPTALDH1A1HCAR3KAT2BPRSS1
SCHEMBL11771596 0.83 KAT2B (0.52) MAPTALDH1A1HCAR3KAT2BPRSS1
SCHEMBL8756218 0.83 HTT (0.58) MAPTALDH1A1HCAR3TDP1PKM
SCHEMBL8657577 0.83 ALDH1A1 (0.47) MAPTALDH1A1HCAR3KAT2BPRSS1
SCHEMBL109663 0.81 HTT (0.58) MAPTALDH1A1HCAR3KAT2BPRSS1
SCHEMBL19666254 0.81 ALDH1A1 (0.54) MAPTALDH1A1HCAR3KAT2BTSHR

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-5792221-A DYEING GRAY TO WHITE HAIR BLUE THROUGH PURPLISH-BLUE SHADES; WATER SOLUBILITY; WASH- AND COLORFASTNESS; WEATHERPROOFING; SWEAT RESISTANCE L'OREAL (FR) 1998-08-11 US claimed