SCHEMBL8468698

SCHEMBL8468698

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

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 9/20 0.44
ALDH1A1 P00352 8/20 0.44
GAA P10253 3/20 0.44
HSD17B10 Q99714 5/20 0.43
ALOX15 P16050 2/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
MAPT P10636 6/20 0.41
MEN1 O00255 3/20 0.41
KMT2A Q03164 3/20 0.41
HPGD P15428 3/20 0.41
TP53 P04637 2/20 0.41
RAB9A P51151 2/20 0.41
NPC1 O15118 1/20 0.41
MAPK1 P28482 1/20 0.41
TSHR P16473 3/20 0.39
GLA P06280 2/20 0.39
LMNA P02545 1/20 0.39
ITGB3 P05106 2/20 0.39
ITGAV P06756 2/20 0.39
HTT P42858 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
SCHEMBL8525635 0.87 JAK2 (0.46) KDM4EALDH1A1GAAHSD17B10ALOX15
SCHEMBL7916970 0.81 ITGB3 (0.51) KDM4EALDH1A1GAAHSD17B10ALOX15
SCHEMBL7916963 0.81 ITGB3 (0.51) KDM4EALDH1A1GAAHSD17B10ALOX15
SCHEMBL8399397 0.80 EPHX2 (0.44) KDM4EALDH1A1GAAHSD17B10MAPT
SCHEMBL8518891 0.74 ITGB3 (0.42) KDM4EALDH1A1ALOX15SMN1; SMN2MAPT
SCHEMBL7401262 0.72 ITGB3 (0.42) KDM4EALDH1A1GAAHSD17B10MAPT
SCHEMBL7917615 0.71 ITGB3 (0.41) KDM4EALDH1A1GAAHSD17B10MAPT
SCHEMBL7078802 0.70 ITGB3 (0.49) KDM4EMAPTITGB3ITGAV
SCHEMBL3256392 0.70 GAA (0.61) KDM4EALDH1A1GAAHSD17B10ALOX15
SCHEMBL6633357 0.69 ALDH1A1 (0.40) KDM4EALDH1A1SMN1; SMN2MEN1KMT2A

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-0869787-A4 VITRONECTIN RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORP (US) 1999-03-24 EP disclosed
EP-0869787-A1 VITRONECTIN RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORPORATION (US) 1998-10-14 EP disclosed
WO-1997024119-A1 VITRONECTIN RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORPORATION (US) 1997-07-10 WO disclosed