SCHEMBL8399397

SCHEMBL8399397

CC(C)(C)OC(=O)NOC(=O)CC1Nc2ccccc2CNC1=O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 1/20 0.44
IDO1 P14902 1/20 0.39
ITGB3 P05106 2/20 0.36
ITGAV P06756 2/20 0.36
MAPK10 P53779 1/20 0.35
MAPK1 P28482 1/20 0.35
ALDH1A1 P00352 7/20 0.35
HSD17B10 Q99714 4/20 0.35
GAA P10253 3/20 0.35
KDM4E B2RXH2 6/20 0.34
MAPT P10636 3/20 0.34
DRD2 P14416 2/20 0.34
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
TSHR P16473 2/20 0.34
TP53 P04637 1/20 0.34
LMNA P02545 1/20 0.34
GLA P06280 1/20 0.34
HPGD P15428 1/20 0.34
RAB9A P51151 1/20 0.34

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
SCHEMBL8525635 0.82 JAK2 (0.46) ITGB3ITGAVMAPK1ALDH1A1HSD17B10
SCHEMBL8468698 0.80 KDM4E (0.44) ITGB3ITGAVMAPK1ALDH1A1HSD17B10
SCHEMBL8518891 0.78 ITGB3 (0.42) ITGB3ITGAVMAPK1ALDH1A1KDM4E
SCHEMBL7916963 0.74 ITGB3 (0.51) ITGB3ITGAVMAPK1ALDH1A1HSD17B10
SCHEMBL7916970 0.74 ITGB3 (0.51) ITGB3ITGAVMAPK1ALDH1A1HSD17B10
SCHEMBL7397715 0.72 ITGB3 (0.45) ITGB3ITGAV
SCHEMBL7397708 0.72 ITGB3 (0.45) ITGB3ITGAV
SCHEMBL4798163 0.70 EPHX2 (0.53) EPHX2GAADRD2KMT2A
SCHEMBL17916932 0.70 EPHX2 (0.53) EPHX2GAADRD2KMT2A
SCHEMBL4798177 0.70 EPHX2 (0.53) EPHX2GAADRD2KMT2A

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
US-5939412-A Bicyclic fibrinogen antagonists SMITHKLINE BEECHAM CORPORATION (US) 1999-08-17 US disclosed
US-5693636-A Bicyclic fibrinogen antagonists SMITHKLINE BEECHAM CORPORATION (US) 1997-12-02 US disclosed