SCHEMBL7562945

SCHEMBL7562945

CCOC(=O)NCC(C)NC(=O)O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.42
GAA P10253 3/20 0.42
MEN1 O00255 2/20 0.42
CYP2D6 P10635 1/20 0.39
CYP2C19 P33261 1/20 0.39
MGAM O43451 1/20 0.37
SI P14410 1/20 0.37
MGAM2 Q2M2H8 1/20 0.37
SMN1; SMN2 Q16637 5/20 0.37
LMNA P02545 2/20 0.36
HTT P42858 1/20 0.36
EGLN1 Q9GZT9 1/20 0.36
CHRNB2 P17787 1/20 0.35
CHRNB4 P30926 1/20 0.35
CHRNA3 P32297 1/20 0.35
CHRNA4 P43681 1/20 0.35
TSHR P16473 1/20 0.35
GLA P06280 1/20 0.35
ATM Q13315 1/20 0.35
NPC1 O15118 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
SCHEMBL7562939 0.90 KMT2A (0.43) KMT2AGAAMEN1CYP2D6CYP2C19
SCHEMBL7564685 0.84 NPC1 (0.49) SMN1; SMN2LMNANPC1RAB9A
SCHEMBL8917423 0.79 CYP2D6 (0.56) KMT2AGAAMEN1CYP2D6CYP2C19
SCHEMBL9797359 0.79 GAA (0.46) KMT2AGAAMEN1CYP2D6CYP2C19
SCHEMBL2739998 0.79 CYP2D6 (0.61) KMT2AMEN1CYP2D6CYP2C19LMNA
SCHEMBL28707499 0.79 CYP2D6 (0.61) KMT2AMEN1CYP2D6CYP2C19LMNA
SCHEMBL26853493 0.78 GAA (0.43) KMT2AGAAMEN1CYP2D6CYP2C19
SCHEMBL20480002 0.78 KMT2A (0.47) KMT2AGAAMEN1CYP2D6ATM
SCHEMBL4819904 0.78 GAA (0.45) KMT2AGAAMEN1CYP2D6CYP2C19
SCHEMBL3373145 0.78 GAA (0.45) KMT2AGAAMEN1CYP2D6CYP2C19

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-0855393-B1 BISBENZOTRIAZOLYLPHENOLS OTSUKA KAGAKU KK (JP) 2002-08-14 EP disclosed
US-5922882-A ULTRAVIOLET RADIATION ABSORBER; COPOLYMERIZATION COMPONENT OF BISBENZOTRIAZOLE COMPRISING A COPOLYCARBONATE, A COPOLYESTER, A COPOLYURETHANE AND A COPOLYURETHANEURA OTSUKA KAGAKU KABUSHIKI KAISHA (JP) 1999-07-13 US disclosed
EP-0855393-A1 BISBENZOTRIAZOLYLPHENOLS OTSUKA KAGAKU KABUSHIKI KAISHA (JP) 1998-07-29 EP disclosed