SCHEMBL5962212

SCHEMBL5962212

CC(=O)OC(C#N)CCc1ccccc1.c1ccc(CNCc2ccccc2)cc1

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 5/20 0.45
ALDH1A1 P00352 1/20 0.45
TSHR P16473 1/20 0.43
CTSC P53634 1/20 0.43
MMP12 P39900 1/20 0.43
MMP8 P22894 1/20 0.43
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
HTT P42858 1/20 0.42
HPGD P15428 1/20 0.42
ATM Q13315 1/20 0.41
CTSS P25774 1/20 0.40
CTSK P43235 1/20 0.40
PKM P14618 1/20 0.40
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39

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
SCHEMBL7693929 0.92 MMP12 (0.49) SMN1; SMN2ALDH1A1TSHRCTSCMMP12
SCHEMBL7693931 0.92 MMP12 (0.49) SMN1; SMN2ALDH1A1TSHRCTSCMMP12
SCHEMBL6367353 0.87 CYP2D6 (0.50) SMN1; SMN2ALDH1A1TSHRCTSCMMP8
SCHEMBL7419000 0.78 BCHE (0.39) SMN1; SMN2ALDH1A1CTSCMEN1KMT2A
SCHEMBL7420267 0.78 BCHE (0.39) SMN1; SMN2ALDH1A1CTSCMEN1KMT2A
SCHEMBL7415866 0.78 BCHE (0.39) SMN1; SMN2ALDH1A1CTSCMEN1KMT2A
SCHEMBL12808706 0.77 MMP12 (0.49) SMN1; SMN2ALDH1A1TSHRMMP12MEN1
SCHEMBL817744 0.77 MMP12 (0.49) SMN1; SMN2ALDH1A1TSHRMMP12MEN1
SCHEMBL4051389 0.77 CTSC (0.46) TSHRCTSCKMT2ACTSSCTSK
SCHEMBL5526694 0.77 CTSC (0.46) TSHRCTSCKMT2ACTSSCTSK

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1449824-B1 Process for producing erythro-3-amino-2-hydroxybutyric acid derivatives DAISO CO LTD (JP) 2006-08-02 EP disclosed
EP-1063232-B1 Process for producing erythro-3-amino-2-hydroxybutyric acid derivatives DAISO CO LTD (JP) 2005-12-14 EP disclosed
EP-1464638-A1 Process for producing erythro-3-amino-2-hydroxybutyric acid derivatives DAISO CO., LTD. (JP) 2004-10-06 EP disclosed
EP-1449824-A1 Process for producing erythro-3-amino-2-hydroxybutyric acid derivatives DAISO CO., LTD. (JP) 2004-08-25 EP disclosed
EP-1063232-A2 Process for producing erythro-3-amino-2-hydroxybutyric acid derivatives DAISO CO., LTD. (JP) 2000-12-27 EP disclosed