SCHEMBL7435998

SCHEMBL7435998

N=C(N)NCCCCCCCC(=O)NCC(=O)NCC(=O)O

nearest known ligand 0.46

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 5/20 0.46
ITGA2B P08514 5/20 0.46
PTPN1 P18031 1/20 0.45
FAAH O00519 3/20 0.44
EPHX2 P34913 3/20 0.43
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
PRMT1 Q99873 1/20 0.42
CYP1A2 P05177 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
ADRA1A P35348 1/20 0.40
SLC6A5 Q9Y345 2/20 0.39
ALOX15 P16050 1/20 0.38

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
SCHEMBL8994727 0.95 PTPN1 (0.45) ITGB3ITGA2BPTPN1FAAHEPHX2
SCHEMBL8770853 0.89 ITGB3 (0.50) ITGB3ITGA2BFAAHEPHX2MEN1
SCHEMBL13121767 0.87 ALOX15 (0.40) ITGB3ITGA2BFAAHEPHX2MEN1
SCHEMBL24620412 0.85 SMN1; SMN2 (0.44) ITGB3ITGA2BFAAHEPHX2MEN1
SCHEMBL8770877 0.85 PRMT1 (0.55) ITGB3ITGA2BEPHX2MEN1KMT2A
SCHEMBL3986924 0.85 PRMT1 (0.55) ITGB3ITGA2BEPHX2MEN1KMT2A
SCHEMBL26870168 0.85 PRMT1 (0.55) ITGB3ITGA2BEPHX2MEN1KMT2A
SCHEMBL9352934 0.83 PTPN1 (0.47) ITGB3ITGA2BPTPN1FAAHEPHX2
SCHEMBL9352921 0.83 PTPN1 (0.47) ITGB3ITGA2BPTPN1FAAHEPHX2
SCHEMBL20999515 0.83 ITGB3 (0.54) ITGB3ITGA2BFAAHEPHX2MEN1

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
EP-0577775-A4 ANTI-THROMBOTIC PEPTIDES AND PSEUDOPEPTIDES. RHONE POULENC RORER INT (US) 1995-01-11 EP disclosed
EP-0577775-A1 ANTI-THROMBOTIC PEPTIDES AND PSEUDOPEPTIDES RHONE-POULENC RORER INTERNATIONAL (HOLDINGS) INC. (US) 1994-01-12 EP disclosed
WO-1992017196-A1 ANTI-THROMBOTIC PEPTIDES AND PSEUDOPEPTIDES RHONE-POULENC RORER INTERNATIONAL (HOLDINGS) INC. (US) 1992-10-15 WO disclosed