SCHEMBL9635513

SCHEMBL9635513

CCCCOC(=O)N1CC(OS(C)(=O)=O)C[C@H]1C(=O)OCC

nearest known ligand 0.37

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
GBA2 Q9HCG7 1/20 0.37
MMP2 P08253 1/20 0.37
ANPEP P15144 1/20 0.37
IDH1 O75874 1/20 0.34
LMNA P02545 2/20 0.34
POLB P06746 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
ALDH1A1 P00352 4/20 0.32
KMT2A Q03164 1/20 0.32
HPGD P15428 1/20 0.32
ATM Q13315 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
ECE1 P42892 1/20 0.31
MMP1 P03956 1/20 0.31
MMP3 P08254 1/20 0.31
MMP7 P09237 1/20 0.31
MMP9 P14780 1/20 0.31
MMP13 P45452 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
SCHEMBL9427744 0.91 MMP2 (0.35) GBA2MMP2ANPEPLMNAPOLB
SCHEMBL9595866 0.91 MMP2 (0.45) GBA2MMP2ANPEPLMNAPOLB
SCHEMBL9595859 0.91 MMP2 (0.45) GBA2MMP2ANPEPLMNAPOLB
SCHEMBL14951725 0.91 MMP2 (0.45) GBA2MMP2ANPEPLMNAPOLB
SCHEMBL21702575 0.84 MMP2 (0.49) MMP2ANPEPLMNAALDH1A1KMT2A
SCHEMBL4367951 0.82 MMP2 (0.40) MMP2ANPEPIDH1LMNAALDH1A1
SCHEMBL9635638 0.82 GBA2 (0.44) GBA2MMP2IDH1LMNAPOLB
SCHEMBL9635642 0.82 GBA2 (0.44) GBA2MMP2IDH1LMNAPOLB
SCHEMBL9732258 0.82 MMP2 (0.37) MMP2ANPEPLMNAPOLBALDH1A1
SCHEMBL28233898 0.76 GBA2 (0.40) GBA2MMP2ANPEPLMNAPOLB

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-0493506-A1 CHIMERIC AMINO ACIDS AND PEPTIDES CONTAINING THESE ANALOGUES GENENTECH, INC. (US) 1992-07-08 EP disclosed
WO-1991004247-A1 CHIMERIC AMINO ACIDS AND PEPTIDES CONTAINING THESE ANALOGUES GENENTECH, INC. (US) 1991-04-04 WO disclosed