SCHEMBL7309322

SCHEMBL7309322

CCOC(=O)CC1COc2ccc(NC(=O)c3ccc(NC(=N)N)cc3)cc2C1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 9/20 0.66
ITGA2B P08514 9/20 0.66
MAPT P10636 7/20 0.44
RAB9A P51151 6/20 0.44
TSHR P16473 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
NPC1 O15118 5/20 0.42
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
SMN1; SMN2 Q16637 3/20 0.41
KDM4E B2RXH2 1/20 0.41
ALDH1A1 P00352 1/20 0.41
PKM P14618 1/20 0.41
MALT1 Q9UDY8 1/20 0.40
LMNA P02545 2/20 0.40
TP53 P04637 1/20 0.40
MEN1 O00255 1/20 0.40
USP2 O75604 1/20 0.40
MAPK1 P28482 1/20 0.40
KMT2A Q03164 1/20 0.40

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
SCHEMBL7306491 0.95 ITGB3 (0.59) ITGB3ITGA2BMAPTRAB9ATSHR
SCHEMBL7309823 0.94 ITGB3 (0.76) ITGB3ITGA2BMAPTRAB9ATSHR
SCHEMBL7300011 0.93 ITGB3 (0.64) ITGB3ITGA2BMAPTRAB9ATSHR
Hydrochloric Acid SCHEMBL7321989 0.93 ITGB3 (0.75) ITGB3ITGA2BMAPTRAB9ATSHR
SCHEMBL7299150 0.90 ITGB3 (0.67) ITGB3ITGA2BMAPTRAB9ANPC1
SCHEMBL7300485 0.90 ITGB3 (0.67) ITGB3ITGA2BMAPTRAB9ATSHR
SCHEMBL7301286 0.87 ITGB3 (0.86) ITGB3ITGA2BRAB9ANPC1SMN1; SMN2
SCHEMBL7304655 0.86 ITGB3 (0.73) ITGB3ITGA2BMAPTRAB9ANPC1
SCHEMBL7297084 0.85 ITGB3 (0.56) ITGB3ITGA2BMAPTRAB9ATSHR
Hydrochloric Acid SCHEMBL7317353 0.85 ITGB3 (0.64) ITGB3ITGA2BMAPTRAB9ANPC1

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-0709370-B1 Bicyclic compounds useful as platelet aggregation inhibitors MITSUI CHEMICALS INC (JP) 1999-01-13 EP disclosed
US-5629321-A FIBRINOGEN ANTAGONIST MITSUI TOATSU CHEMICALS, INC. (JP) 1997-05-13 US disclosed
EP-0709370-A1 Bicyclic compounds useful as platelet aggregation inhibitors MITSUI TOATSU CHEMICALS, Inc. (JP) 1996-05-01 EP disclosed