SCHEMBL7446597

SCHEMBL7446597

C#CC(CC(=O)OCCc1ccccc1)NC(=O)[C@@H]1CCCN(C(=O)/C=C/C2CCN(C(=O)OC(C)(C)C)CC2)C1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
STS P08842 1/20 0.41
ITGB3 P05106 5/20 0.41
ITGA2B P08514 5/20 0.41
MMP1 P03956 1/20 0.39
MMP3 P08254 1/20 0.39
MMP9 P14780 1/20 0.39
MMP8 P22894 1/20 0.39
KDM4E B2RXH2 1/20 0.38
PKM P14618 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
GPR119 Q8TDV5 1/20 0.37
MAPK1 P28482 1/20 0.37
YAP1 P46937 3/20 0.36
NPC1 O15118 1/20 0.36
ALDH1A1 P00352 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2D6 P10635 1/20 0.36
HPGD P15428 1/20 0.36
RAB9A P51151 1/20 0.36
F2R P25116 1/20 0.36

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
SCHEMBL7446606 0.87 STS (0.42) STSITGB3ITGA2BMMP1MMP3
SCHEMBL7439743 0.87 MEN1 (0.37) ITGB3ITGA2BALDH1A1HPGDF2R
SCHEMBL7439730 0.87 ALDH1A1 (0.39) ITGB3ITGA2BKDM4EALDH1A1HPGD
SCHEMBL7444290 0.87 ALDH1A1 (0.39) ITGB3ITGA2BKDM4EALDH1A1HPGD
SCHEMBL7440109 0.87 ALDH1A1 (0.39) ITGB3ITGA2BKDM4EALDH1A1HPGD
SCHEMBL7445653 0.86 ITGB3 (0.49) STSITGB3ITGA2BALDH1A1F2R
SCHEMBL7437038 0.86 MEN1 (0.36) ITGB3ITGA2BL3MBTL1MAPK1ALDH1A1
Hydrochloric Acid SCHEMBL7439581 0.86 ITGB3 (0.54) ITGB3ITGA2BMAPK1NPC1ALDH1A1
SCHEMBL7446600 0.85 STS (0.42) STSITGB3ITGA2BMMP1MMP3
SCHEMBL7437953 0.85 ITGB3 (0.45) ITGB3ITGA2BALDH1A1HPGDF2R

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-6384028-B1 TREATMENT OF CARDIOVASCULAR DISORDERS, ANTICOAGULANTS AND VALVE REPLACEMENT FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2002-05-07 US disclosed
WO-1996029309-A1 N-ACYLPIPERIDINYLCARBONYLAMINOCARBOXYLIC ACIDS AND THEIR USE AS GLYCOPROTEIN IIB/IIa ANTAGONISTS AND FIBRINOGEN-BLOOD PLATELETS BINDING INHIBITORS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1996-09-26 WO disclosed