SCHEMBL8636459

SCHEMBL8636459

CC(N)CN(CCO)CC(C)N

nearest known ligand 0.42

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.35
ALDH1A1 P00352 2/20 0.32
CYP1A2 P05177 1/20 0.31
CYP2C9 P11712 1/20 0.31
HPGD P15428 1/20 0.31
MAPK1 P28482 1/20 0.31
HIF1A Q16665 1/20 0.31
HSD17B10 Q99714 1/20 0.31

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
SCHEMBL4329451 0.95 MAPT (0.35) MAPTALDH1A1CYP1A2CYP2C9HPGD
SCHEMBL726708 0.95 MAPT (0.35) MAPTALDH1A1CYP1A2CYP2C9HPGD
SCHEMBL8130796 0.88 CYP1A2 (0.41) MAPTALDH1A1CYP1A2CYP2C9HPGD
SCHEMBL11619938 0.83 ALDH1A1 (0.39) ALDH1A1MAPK1
Trolamine SCHEMBL28683075 0.80 MAPT (0.40) MAPTALDH1A1CYP1A2CYP2C9HPGD
SCHEMBL10901378 0.80
Trolamine SCHEMBL8470603 0.79 ALDH1A1 (0.53) MAPTALDH1A1CYP1A2CYP2C9HPGD
Trolamine SCHEMBL8012449 0.79 CYP1A2 (0.35) MAPTALDH1A1CYP1A2CYP2C9HPGD
Hydroxyamine SCHEMBL6517648 0.79 TDP1 (0.38) MAPTALDH1A1CYP1A2CYP2C9HPGD
SCHEMBL1720698 0.78

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-0512423-B1 Aqueous solutions of cationic polyamidoamine resins HOECHST AG (DE) 1998-07-22 EP claimed