SCHEMBL7446583

SCHEMBL7446583

C#CC(CC(=O)O)NC(=O)C1CCN(C(=O)/C=C/C2CCN(C(=O)OC(C)(C)C)CC2)CC1

nearest known ligand 0.45

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 8/20 0.40
MEN1 O00255 7/20 0.40
STS P08842 5/20 0.39
PTPN2 P17706 1/20 0.39
PTPN1 P18031 1/20 0.39
PTPN6 P29350 1/20 0.39
HPGD P15428 1/20 0.38
ITGB3 P05106 1/20 0.38
ITGA2B P08514 1/20 0.38
RECQL P46063 1/20 0.37
ALDH1A1 P00352 1/20 0.36
POLB P06746 1/20 0.36
MAPT P10636 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
MAPK1 P28482 1/20 0.35

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
SCHEMBL7440757 0.91 ITGB3 (0.45) KMT2AMEN1HPGDITGB3ITGA2B
SCHEMBL7437953 0.91 ITGB3 (0.45) KMT2AMEN1HPGDITGB3ITGA2B
SCHEMBL7438515 0.89 KMT2A (0.38) KMT2AMEN1STSPTPN2PTPN1
SCHEMBL7448402 0.84 ITGB3 (0.44) KMT2AMEN1ITGB3ITGA2BALDH1A1
SCHEMBL7444290 0.81 ALDH1A1 (0.39) KMT2AMEN1HPGDITGB3ITGA2B
SCHEMBL7439730 0.81 ALDH1A1 (0.39) KMT2AMEN1HPGDITGB3ITGA2B
SCHEMBL7440109 0.81 ALDH1A1 (0.39) KMT2AMEN1HPGDITGB3ITGA2B
SCHEMBL7446587 0.81 STS (0.39) KMT2AMEN1STSPTPN2PTPN1
SCHEMBL7459675 0.79 MEN1 (0.37) KMT2AMEN1HPGDITGB3ITGA2B
SCHEMBL7441386 0.79 ITGB3 (0.44) KMT2AMEN1HPGDITGB3ITGA2B

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