SCHEMBL8770853

SCHEMBL8770853

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

nearest known ligand 0.50

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 6/20 0.50
ITGA2B P08514 6/20 0.50
EPHX2 P34913 3/20 0.46
FAAH O00519 2/20 0.44
CNR1 P21554 2/20 0.44
CNR2 P34972 2/20 0.44
PRMT1 Q99873 1/20 0.41
LMNA P02545 1/20 0.40
TSHR P16473 1/20 0.40
KDM4E B2RXH2 1/20 0.40
ECE1 P42892 1/20 0.40
ADRA1A P35348 1/20 0.39
SLC6A5 Q9Y345 2/20 0.38
MEN1 O00255 1/20 0.38
MAPT P10636 1/20 0.38
KMT2A Q03164 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
SCHEMBL20999515 0.92 ITGB3 (0.54) ITGB3ITGA2BEPHX2FAAHCNR1
SCHEMBL7435998 0.89 ITGB3 (0.46) ITGB3ITGA2BEPHX2FAAHPRMT1
SCHEMBL26870168 0.87 PRMT1 (0.55) ITGB3ITGA2BEPHX2PRMT1LMNA
SCHEMBL3986924 0.87 PRMT1 (0.55) ITGB3ITGA2BEPHX2PRMT1LMNA
SCHEMBL8770888 0.87 ITGB3 (0.51) ITGB3ITGA2BEPHX2FAAHCNR1
SCHEMBL8994727 0.87 PTPN1 (0.45) ITGB3ITGA2BEPHX2FAAHPRMT1
SCHEMBL8770877 0.87 PRMT1 (0.55) ITGB3ITGA2BEPHX2PRMT1LMNA
SCHEMBL13121767 0.85 ALOX15 (0.40) ITGB3ITGA2BEPHX2FAAHTSHR
SCHEMBL8770848 0.83 EPHX2 (0.50) ITGB3ITGA2BEPHX2FAAHCNR1
SCHEMBL12071641 0.82 ALOX15 (0.42) ITGB3ITGA2BEPHX2FAAHTSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116783294-A Integrin targeting ligands and uses thereof 箭头药业股份有限公司 2023-09-19 CN disclosed
EP-0617705-B1 NON-PEPTIDIC SURROGATES OF THE ARG-GLY-ASP SEQUENCE AND PHARMACEUTICAL COMPOSITIONS COMPRISING THEM YEDA RES & DEV (IL) 1997-09-24 EP disclosed
US-5519005-A GUANIDINE TERMINATED PEPTIDES FOR TREATMENT OF THROMBOSIS, ANTITUMOR AGENTS, AUTOIMMUNE DISEASES AND IMMUNOLOGY YEDA RESEARCH AND DEVELOPMENT CO. LTD. (IL) 1996-05-21 US disclosed
EP-0617705-A4 NON-PEPTIDIC SURROGATES OF THE ARG-GLY-ASP SEQUENCE AND PHARMACEUTICAL COMPOSITIONS COMPRISING THEM. YEDA RES & DEV (IL) 1994-12-28 EP disclosed
EP-0617705-A1 NON-PEPTIDIC SURROGATES OF THE ARG-GLY-ASP SEQUENCE AND PHARMACEUTICAL COMPOSITIONS COMPRISING THEM. YEDA RES & DEV (IL) 1994-10-05 EP disclosed
US-5352667-A Inhibit cell adhesion YEDA RESEARCH AND DEVELOPMENT CO. LTD. (IL) 1994-10-04 US disclosed
WO-1993009795-A1 NON-PEPTIDIC SURROGATES OF THE ARG-GLY-ASP SEQUENCE AND PHARMACEUTICAL COMPOSITIONS COMPRISING THEM YEDA RESEARCH AND DEVELOPMENT CO. LTD. (IL) 1993-05-27 WO disclosed