SCHEMBL7344913

SCHEMBL7344913

CCOC(=O)CC1CC(C)(C)c2cc(NC(=O)c3ccc(C(=N)N)cc3)ccc2O1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 10/20 0.51
ITGA2B P08514 10/20 0.51
F10 P00742 5/20 0.43
F2 P00734 4/20 0.43
PLAU P00749 4/20 0.39
RAB9A P51151 3/20 0.39
MAPT P10636 2/20 0.39
NPC1 O15118 2/20 0.39
TSHR P16473 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
PLAT P00750 2/20 0.38
KDM4E B2RXH2 1/20 0.38
ALDH1A1 P00352 1/20 0.38
PKM P14618 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
MEN1 O00255 1/20 0.38
CYP26A1 O43174 1/20 0.38
PGR P06401 1/20 0.38
CYP3A4 P08684 1/20 0.38
ADORA3 P0DMS8 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
Hydrochloric Acid SCHEMBL6956883 0.99 ITGB3 (0.50) ITGB3ITGA2BF10F2PLAU
SCHEMBL6957279 0.88 ITGB3 (0.65) ITGB3ITGA2BF10F2PLAU
Hydrochloric Acid SCHEMBL8543282 0.87 ITGB3 (0.64) ITGB3ITGA2BF10F2PLAU
SCHEMBL7344933 0.87 RAB9A (0.38) ITGB3ITGA2BRAB9AMAPTNPC1
SCHEMBL6948847 0.87 RAB9A (0.41) RAB9AMAPTNPC1TSHRL3MBTL1
Hydrochloric Acid SCHEMBL6956893 0.86 RAB9A (0.37) ITGB3ITGA2BRAB9AMAPTNPC1
Hydrochloric Acid SCHEMBL6950435 0.81 ITGB3 (0.75) ITGB3ITGA2BPLAURAB9AMAPT
Hydrochloric Acid SCHEMBL6950439 0.80 ITGB3 (0.39) ITGB3ITGA2BF10F2PLAU
SCHEMBL6953246 0.80 RORC (0.46)
SCHEMBL6957291 0.76 ITGB3 (0.47) ITGB3ITGA2BRAB9AMAPTNPC1

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-1996022288-A1 GLYCOPROTEIN IIb/IIIa ANTAGONISTS ELI LILLY AND COMPANY (US) 1996-07-25 WO disclosed