SCHEMBL8768552

SCHEMBL8768552

NC(N)(CO)CCC(=O)O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
THRB P10828 3/20 0.46
KMT2A Q03164 3/20 0.46
ALDH1A1 P00352 3/20 0.46
CYP1A2 P05177 2/20 0.46
MEN1 O00255 2/20 0.46
LMNA P02545 5/20 0.40
ALKBH5 Q6P6C2 1/20 0.40
SUCNR1 Q9BXA5 1/20 0.40
EGLN1 Q9GZT9 1/20 0.40
CAMK2A Q9UQM7 1/20 0.38
SLC22A6 Q4U2R8 1/20 0.36
TSHR P16473 3/20 0.36
GABRR1 P24046 2/20 0.36
HDAC3 O15379 2/20 0.36
BLM P54132 2/20 0.36
HDAC1 Q13547 2/20 0.36
NPSR1 Q6W5P4 2/20 0.36
HDAC2 Q92769 2/20 0.36
HDAC8 Q9BY41 2/20 0.36
GABRR3 A8MPY1 1/20 0.36

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
SCHEMBL27918817 0.86 KMT2A (0.52) THRBKMT2AALDH1A1CYP1A2MEN1
SCHEMBL28136018 0.77 ALDH1A1 (0.61) THRBKMT2AALDH1A1CYP1A2MEN1
SCHEMBL7449339 0.75 ALDH1A1 (0.54) THRBKMT2AALDH1A1CYP1A2MEN1
SCHEMBL7021656 0.75 CYP1A2 (0.65) THRBKMT2AALDH1A1CYP1A2MEN1
SCHEMBL7233790 0.75 CYP1A2 (0.65) THRBKMT2AALDH1A1CYP1A2MEN1
SCHEMBL7021651 0.75 CYP1A2 (0.65) THRBKMT2AALDH1A1CYP1A2MEN1
SCHEMBL2029796 0.75
SCHEMBL123829 0.75 KMT2A (0.52) THRBKMT2AALDH1A1CYP1A2MEN1
SCHEMBL7520399 0.75 KMT2A (0.52) THRBKMT2AALDH1A1CYP1A2MEN1
SCHEMBL7564576 0.73 ALDH1A1 (0.47) THRBKMT2AALDH1A1CYP1A2MEN1

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
EP-0792146-A1 INACTIVATION OF PATHOGENS USING HYDROXYMETHYLAMINES HEMASURE, INC. (US) 1997-09-03 EP disclosed
WO-1997002028-A1 INACTIVATION OF PATHOGENS USING HYDROXYMETHYLAMINES HEMASURE, INC. (US) 1997-01-23 WO disclosed