SCHEMBL669477

SCHEMBL669477

COC(=O)c1cccnc1CCC(=O)OC(C)(C)C

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PKM P14618 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
TDP1 Q9NUW8 1/20 0.43
ATR Q13535 1/20 0.41
MAP2K1 Q02750 1/20 0.41
KDM4E B2RXH2 4/20 0.40
ALDH1A1 P00352 4/20 0.40
LMNA P02545 2/20 0.40
MAPK10 P53779 1/20 0.39
MAPT P10636 1/20 0.39
HTT P42858 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
POLB P06746 3/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
SLC40A1 Q9NP59 1/20 0.38
ATM Q13315 1/20 0.38
TSHR P16473 1/20 0.38
ALOX15 P16050 1/20 0.38
HSD17B10 Q99714 1/20 0.38

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
SCHEMBL31569428 0.82 ATR (0.45) PKML3MBTL1TDP1ATRMAP2K1
SCHEMBL29907674 0.79 ATR (0.50) PKML3MBTL1TDP1ATRMAP2K1
SCHEMBL16790455 0.79 ATR (0.50) PKML3MBTL1TDP1ATRMAP2K1
SCHEMBL17714455 0.79 TDP1 (0.50) PKML3MBTL1TDP1MAP2K1KDM4E
SCHEMBL21957938 0.79 TDP1 (0.50) PKML3MBTL1TDP1MAP2K1KDM4E
SCHEMBL29056995 0.78 ALDH1A1 (0.66) KDM4EALDH1A1LMNAHTTPOLB
Hydrochloric Acid SCHEMBL21957930 0.77 TDP1 (0.49) PKML3MBTL1TDP1MAP2K1KDM4E
SCHEMBL2732104 0.77 TDP1 (0.49) PKML3MBTL1TDP1MAP2K1KDM4E
SCHEMBL27497541 0.77 TDP1 (0.49) PKML3MBTL1TDP1MAP2K1KDM4E
SCHEMBL6017355 0.77 TDP1 (0.54) PKML3MBTL1TDP1MAP2K1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2012024419-A2 BRADYKININ RECEPTOR AGONISTS AND USES THEREOF TO TREAT OCULAR HYPERTENSION AND GLAUCOMA ALCON RESEARCH, LTD. (US) 2012-02-23 WO disclosed