SCHEMBL8994727

SCHEMBL8994727

N=C(N)NCCCCC(=O)NCC(=O)O

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 1/20 0.45
FAAH O00519 4/20 0.44
ITGB3 P05106 5/20 0.43
ITGA2B P08514 5/20 0.43
EPHX2 P34913 3/20 0.43
MEN1 O00255 3/20 0.43
KMT2A Q03164 3/20 0.43
PRMT1 Q99873 1/20 0.41
ALOX15 P16050 2/20 0.41
RECQL P46063 2/20 0.41
CYP1A2 P05177 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
KDM4E B2RXH2 1/20 0.41
USP2 O75604 1/20 0.41
ALDH1A1 P00352 1/20 0.41
POLB P06746 1/20 0.41
CYP3A4 P08684 1/20 0.41
MAPT P10636 1/20 0.41
HPGD P15428 1/20 0.41
APEX1 P27695 1/20 0.41

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
SCHEMBL7435998 0.95 ITGB3 (0.46) PTPN1FAAHITGB3ITGA2BEPHX2
SCHEMBL12071641 0.87 ALOX15 (0.42) FAAHITGB3ITGA2BEPHX2MEN1
SCHEMBL8770853 0.87 ITGB3 (0.50) FAAHITGB3ITGA2BEPHX2MEN1
SCHEMBL8770877 0.86 PRMT1 (0.55) ITGB3ITGA2BEPHX2MEN1KMT2A
SCHEMBL26870168 0.86 PRMT1 (0.55) ITGB3ITGA2BEPHX2MEN1KMT2A
SCHEMBL24620412 0.86 SMN1; SMN2 (0.44) FAAHITGB3ITGA2BEPHX2MEN1
SCHEMBL3986924 0.86 PRMT1 (0.55) ITGB3ITGA2BEPHX2MEN1KMT2A
SCHEMBL9352934 0.85 PTPN1 (0.47) PTPN1FAAHITGB3ITGA2BEPHX2
SCHEMBL9352921 0.85 PTPN1 (0.47) PTPN1FAAHITGB3ITGA2BEPHX2
SCHEMBL13121767 0.84 ALOX15 (0.40) FAAHITGB3ITGA2BEPHX2MEN1

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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0540574-B1 ANTICOAGULANT PEPTIDES MERRELL PHARMA INC (US) 1996-09-11 EP claimed
EP-0540574-A4 1994-04-27 EP claimed
EP-0540574-A1 ANTICOAGULANT PEPTIDES. MERRELL DOW PHARMA (US) 1993-05-12 EP claimed
WO-1992001710-A1 ANTICOAGULANT PEPTIDES MERRELL DOW PHARMACEUTICALS INC. (US) 1992-02-06 WO claimed
EP-0540574-B1 ANTICOAGULANT PEPTIDES MERRELL PHARMA INC (US) 1996-09-11 EP disclosed
US-5495000-A Anticoagulant peptides MERRELL PHARMACEUTICALS INC. (US) 1996-02-27 US disclosed
EP-0540574-A4 1994-04-27 EP disclosed
EP-0540574-A1 ANTICOAGULANT PEPTIDES. MERRELL DOW PHARMA (US) 1993-05-12 EP disclosed
WO-1992001710-A1 ANTICOAGULANT PEPTIDES MERRELL DOW PHARMACEUTICALS INC. (US) 1992-02-06 WO disclosed