SCHEMBL7446872

SCHEMBL7446872

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

nearest known ligand 0.38

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 4/20 0.38
ITGA2B P08514 4/20 0.38
HPGD P15428 2/20 0.38
ALDH1A1 P00352 3/20 0.38
MEN1 O00255 3/20 0.38
KMT2A Q03164 3/20 0.38
MAPT P10636 1/20 0.38
KDM4E B2RXH2 1/20 0.38
GAA P10253 2/20 0.37
HTT P42858 1/20 0.37
ALOX15 P16050 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
TSHR P16473 1/20 0.37
ABL1 P00519 1/20 0.35
RIN1 Q13671 1/20 0.35
L3MBTL1 Q9Y468 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
SCHEMBL7440088 0.90 ITGB3 (0.45) ITGB3ITGA2BHPGDALDH1A1MEN1
SCHEMBL7441377 0.89 ITGB3 (0.38) ITGB3ITGA2BHPGDALDH1A1MEN1
SCHEMBL7439730 0.88 ALDH1A1 (0.39) ITGB3ITGA2BHPGDALDH1A1MEN1
SCHEMBL7440109 0.88 ALDH1A1 (0.39) ITGB3ITGA2BHPGDALDH1A1MEN1
SCHEMBL7444290 0.88 ALDH1A1 (0.39) ITGB3ITGA2BHPGDALDH1A1MEN1
SCHEMBL7445250 0.87 L3MBTL1 (0.43) ITGB3ITGA2BHPGDALDH1A1KMT2A
SCHEMBL7446662 0.86 ITGB3 (0.37) ITGB3ITGA2BHPGDALDH1A1MEN1
SCHEMBL7450062 0.85 L3MBTL1 (0.42) ITGB3ITGA2BKDM4EHTTL3MBTL1
SCHEMBL7446981 0.85 ITGB3 (0.39) ITGB3ITGA2BHPGDALDH1A1MEN1
SCHEMBL7445642 0.84 ITGB3 (0.49) ITGB3ITGA2BHPGD

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
US-6384028-B1 TREATMENT OF CARDIOVASCULAR DISORDERS, ANTICOAGULANTS AND VALVE REPLACEMENT FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2002-05-07 US disclosed
EP-0869944-A1 N-ACYLPIPERIDINYLCARBONYLAMINOCARBOXYLIC ACIDS AND THEIR USE AS GLYCOPROTEIN IIB/IIa ANTAGONISTS AND FIBRINOGEN-BLOOD PLATELETS BINDING INHIBITORS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1998-10-14 EP 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