SCHEMBL26645950

SCHEMBL26645950

CCN(CCO)c1cccc(C)c1.CCN(CCO)c1cccc(C)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.50
CYP3A4 P08684 2/20 0.50
GFER P55789 3/20 0.49
KMT2A Q03164 2/20 0.48
MEN1 O00255 1/20 0.48
MAPT P10636 7/20 0.47
LMNA P02545 4/20 0.47
USP2 O75604 1/20 0.47
CYP1A2 P05177 1/20 0.46
CYP2D6 P10635 1/20 0.46
CYP2C19 P33261 1/20 0.46
TSHR P16473 3/20 0.45
ALOX15 P16050 2/20 0.45
HSD17B10 Q99714 1/20 0.45
GAA P10253 2/20 0.44
TP53 P04637 2/20 0.44
NPSR1 Q6W5P4 1/20 0.44
HPGD P15428 3/20 0.43
HTT P42858 3/20 0.43
KDM4E B2RXH2 1/20 0.43

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
SCHEMBL139721 1.00 ALDH1A1 (0.50) ALDH1A1CYP3A4GFERKMT2AMEN1
SCHEMBL29872680 1.00 ALDH1A1 (0.50) ALDH1A1CYP3A4GFERKMT2AMEN1
SCHEMBL10909579 0.98 ALDH1A1 (0.49) ALDH1A1CYP3A4GFERKMT2AMEN1
Magnesium SCHEMBL30522001 0.98 ALDH1A1 (0.49) ALDH1A1CYP3A4GFERKMT2AMEN1
SCHEMBL8633657 0.95 GFER (0.46) ALDH1A1CYP3A4GFERKMT2AMEN1
Sulfuric Acid SCHEMBL9311046 0.92 CYP3A4 (0.50) ALDH1A1CYP3A4GFERKMT2AMEN1
SCHEMBL18422578 0.92 GFER (0.44) ALDH1A1CYP3A4GFERKMT2AMEN1
SCHEMBL29431930 0.91 MAPT (0.44) ALDH1A1CYP3A4GFERKMT2AMEN1
SCHEMBL632177 0.91 MAPT (0.44) ALDH1A1CYP3A4GFERKMT2AMEN1
SCHEMBL9446180 0.90 ALDH1A1 (0.52) ALDH1A1CYP3A4GFERKMT2AMEN1

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
WO-2023219195-A1 REACTIVE DISPERSE DYE COMPOSITION AND SUPERCRITICAL FLUID DYEING METHOD USING SAME 충남대학교산학협력단 2023-11-16 WO disclosed