SCHEMBL7446587

SCHEMBL7446587

C#C[C@@H](CNC(=O)C1CCN(C(=O)/C=C/C2CCN(C(=O)OC(C)(C)C)CC2)CC1)C(=O)O

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
STS P08842 5/20 0.39
PTPN2 P17706 1/20 0.39
PTPN1 P18031 1/20 0.39
PTPN6 P29350 1/20 0.39
KMT2A Q03164 3/20 0.38
MEN1 O00255 2/20 0.38
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
HPGD P15428 1/20 0.38
GPR119 Q8TDV5 3/20 0.38
EPHX2 P34913 1/20 0.37
RECQL P46063 1/20 0.37
KDM4E B2RXH2 1/20 0.37
PKM P14618 1/20 0.37
ALDH1A1 P00352 1/20 0.36
MAPT P10636 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
SCHEMBL7442706 0.91 KMT2A (0.46) KMT2AMEN1HPGDKDM4EPKM
SCHEMBL7437958 0.91 KMT2A (0.46) KMT2AMEN1HPGDKDM4EPKM
SCHEMBL7440764 0.91 KMT2A (0.46) KMT2AMEN1HPGDKDM4EPKM
SCHEMBL7438518 0.90 KMT2A (0.38) STSPTPN2PTPN1PTPN6KMT2A
SCHEMBL7448410 0.84 KMT2A (0.46) KMT2AMEN1HPGDALDH1A1MAPT
SCHEMBL7440116 0.82 ALDH1A1 (0.43) KMT2AMEN1HPGDKDM4EALDH1A1
SCHEMBL7467594 0.82 ALDH1A1 (0.43) KMT2AMEN1HPGDKDM4EALDH1A1
SCHEMBL7439734 0.82 ALDH1A1 (0.43) KMT2AMEN1HPGDKDM4EALDH1A1
SCHEMBL7444296 0.82 ALDH1A1 (0.43) KMT2AMEN1HPGDKDM4EALDH1A1
SCHEMBL7446583 0.81 KMT2A (0.40) STSPTPN2PTPN1PTPN6KMT2A

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