SCHEMBL8433637

SCHEMBL8433637

NCC(O)(O)Nc1ccccc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 3/20 0.39
IDO1 P14902 2/20 0.39
PTGS2 P35354 2/20 0.39
CYP3A4 P08684 2/20 0.39
LMNA P02545 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP2D6 P10635 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
ALDH1A1 P00352 5/20 0.37
HSD17B10 Q99714 4/20 0.37
TSHR P16473 4/20 0.37
TP53 P04637 2/20 0.37
TAS2R38 P59533 2/20 0.37
TYR P14679 1/20 0.37
TAAR1 Q96RJ0 1/20 0.37
EPHX2 P34913 2/20 0.36
CTSD P07339 1/20 0.36
L3MBTL1 Q9Y468 2/20 0.35
ALOX15 P16050 1/20 0.35

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
SCHEMBL9399546 0.77 GAA (0.41) IDO1CYP2C19HSD17B10TSHRTAS2R38
SCHEMBL27472866 0.75 SMN1; SMN2 (0.39) TDP1CYP3A4CYP2C19HSD17B10TSHR
SCHEMBL3076978 0.74 TAAR1 (0.48) TDP1IDO1PTGS2CYP3A4LMNA
SCHEMBL27956826 0.71 TDP1 (0.42) TDP1IDO1PTGS2CYP3A4LMNA
SCHEMBL22323494 0.70 NPSR1 (0.42) TDP1IDO1PTGS2CYP3A4LMNA
SCHEMBL3697578 0.70 PDK1 (0.41) TDP1IDO1PTGS2CYP3A4LMNA
SCHEMBL902711 0.69 NPSR1 (0.44) TDP1IDO1PTGS2CYP3A4LMNA
SCHEMBL5699071 0.69 PDK1 (0.44) TDP1IDO1PTGS2CYP3A4LMNA
SCHEMBL5990311 0.67 NPSR1 (0.43) TDP1IDO1PTGS2CYP3A4LMNA
SCHEMBL2640783 0.67 GAA (0.41) IDO1CYP2C19ALDH1A1TSHRTAS2R38

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-11071247-A None JP disclosed
JP-H1171247-A HAIR-DYEING AGENT COMPOSITION KAO CORP 1999-03-16 JP disclosed