SCHEMBL10180673

SCHEMBL10180673

CC(O)CN(CCN(CCO)CCN(CCO)CCO)CC(C)O

nearest known ligand 0.75

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.36
KDM4E B2RXH2 3/20 0.33
MAPT P10636 3/20 0.33
ALOX15 P16050 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
TSHR P16473 2/20 0.32
RECQL P46063 1/20 0.32
MEN1 O00255 1/20 0.31
ALDH1A1 P00352 1/20 0.31
KMT2A Q03164 1/20 0.31
CYP1A2 P05177 1/20 0.30
CYP2C9 P11712 1/20 0.30
HPGD P15428 1/20 0.30
MAPK1 P28482 1/20 0.30
HIF1A Q16665 1/20 0.30
HSD17B10 Q99714 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
Edetol SCHEMBL10874369 1.00 TDP1 (0.36) TDP1KDM4EMAPTALOX15SMN1; SMN2
SCHEMBL344219 0.95 TDP1 (0.36) TDP1KDM4EMAPTALOX15SMN1; SMN2
SCHEMBL30386839 0.95 TDP1 (0.36) TDP1KDM4EMAPTALOX15SMN1; SMN2
SCHEMBL2156807 0.95 TDP1 (0.36) TDP1KDM4EMAPTALOX15SMN1; SMN2
SCHEMBL10954251 0.95 TDP1 (0.36) TDP1KDM4EMAPTALOX15SMN1; SMN2
SCHEMBL20216922 0.95 TDP1 (0.40) TDP1KDM4EMAPTALOX15SMN1; SMN2
SCHEMBL1144943 0.95 TDP1 (0.40) TDP1KDM4EMAPTALOX15SMN1; SMN2
SCHEMBL4749725 0.93 KDM4E (0.35) TDP1KDM4EMAPTALOX15SMN1; SMN2
Hydroxyamine SCHEMBL6517648 0.92 TDP1 (0.38) TDP1KDM4EMAPTTSHRRECQL
Trolamine SCHEMBL20421422 0.92 TDP1 (0.38) TDP1KDM4EMAPTTSHRRECQL

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3109216-A1 HARDENING AND SETTING ACCELERATOR FOR HYDRAULIC BINDING AGENTS HeidelbergCement AG (DE) 2016-12-28 EP claimed
EP-1603846-B1 STRENGTH IMPROVEMENT ADMIXTURE CONSTR RES & TECH GMBH (DE) 2012-07-11 EP claimed
EP-3109216-A1 HARDENING AND SETTING ACCELERATOR FOR HYDRAULIC BINDING AGENTS HeidelbergCement AG (DE) 2016-12-28 EP disclosed