SCHEMBL7438515

SCHEMBL7438515

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

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 8/20 0.38
MEN1 O00255 7/20 0.38
PTPN2 P17706 1/20 0.37
PTPN1 P18031 1/20 0.37
PTPN6 P29350 1/20 0.37
CAPN1 P07384 1/20 0.36
HPGD P15428 2/20 0.36
ALDH1A1 P00352 2/20 0.36
TSHR P16473 1/20 0.36
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
STS P08842 2/20 0.35
RECQL P46063 1/20 0.35
ALOX15 P16050 1/20 0.35
POLB P06746 1/20 0.35
MAPT P10636 1/20 0.35
NPSR1 Q6W5P4 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
SCHEMBL7439730 0.92 ALDH1A1 (0.39) KMT2AMEN1HPGDALDH1A1TSHR
SCHEMBL7440109 0.92 ALDH1A1 (0.39) KMT2AMEN1HPGDALDH1A1TSHR
SCHEMBL7444290 0.92 ALDH1A1 (0.39) KMT2AMEN1HPGDALDH1A1TSHR
SCHEMBL7446583 0.89 KMT2A (0.40) KMT2AMEN1PTPN2PTPN1PTPN6
SCHEMBL7452040 0.85 ALDH1A1 (0.39) KMT2AMEN1HPGDALDH1A1SMN1; SMN2
SCHEMBL7439743 0.84 MEN1 (0.37) KMT2AMEN1HPGDALDH1A1MAPT
SCHEMBL7437038 0.83 MEN1 (0.36) KMT2AMEN1HPGDALDH1A1MAPT
SCHEMBL7438522 0.83 GAA (0.40) KMT2AMEN1PTPN2PTPN1PTPN6
SCHEMBL7459675 0.83 MEN1 (0.37) KMT2AMEN1HPGDALDH1A1SMN1; SMN2
SCHEMBL7438518 0.81 KMT2A (0.38) KMT2AMEN1PTPN2PTPN1PTPN6

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