SCHEMBL7368947

SCHEMBL7368947

COC(=O)COc1ccc(C(=O)CNCC(=O)OCc2ccccc2)cc1OCC(=O)OC

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.59
MEN1 O00255 4/20 0.59
RAB9A P51151 3/20 0.50
SMN1; SMN2 Q16637 3/20 0.50
NPC1 O15118 2/20 0.50
HPGD P15428 1/20 0.50
SMPD1 P17405 2/20 0.46
HDAC1 Q13547 1/20 0.46
HDAC8 Q9BY41 1/20 0.46
HDAC6 Q9UBN7 1/20 0.46
MAPT P10636 4/20 0.44
KDM4E B2RXH2 2/20 0.44
ALDH1A1 P00352 1/20 0.44
LTB4R Q15722 1/20 0.44
LTB4R2 Q9NPC1 1/20 0.44
MAPK1 P28482 1/20 0.43
POLB P06746 1/20 0.41
THRB P10828 1/20 0.41
ABCB1 P08183 1/20 0.41
CYP1A2 P05177 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
SCHEMBL8363347 0.92 MEN1 (0.59) KMT2AMEN1RAB9ASMN1; SMN2NPC1
SCHEMBL7368949 0.81 ITGB3 (0.50) KMT2AMEN1RAB9ASMN1; SMN2NPC1
SCHEMBL20329333 0.79 SMPD1 (0.59) KMT2AMEN1RAB9ASMN1; SMN2NPC1
SCHEMBL7363019 0.79 KMT2A (0.45) KMT2AMEN1MAPTKDM4EALDH1A1
SCHEMBL31174375 0.78 ALDH1A1 (0.58) KMT2AMEN1RAB9ANPC1MAPT
SCHEMBL30100625 0.77 SMN1; SMN2 (0.67) KMT2AMEN1RAB9ASMN1; SMN2NPC1
SCHEMBL28848865 0.77 SMN1; SMN2 (0.67) KMT2AMEN1RAB9ASMN1; SMN2NPC1
SCHEMBL30100607 0.77 SMN1; SMN2 (0.60) KMT2AMEN1RAB9ASMN1; SMN2NPC1
SCHEMBL20328290 0.77 SMPD1 (0.59) KMT2AMEN1RAB9ASMN1; SMN2NPC1
SCHEMBL20328346 0.76 SMPD1 (0.58) KMT2AMEN1RAB9ASMN1; SMN2NPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0767792-A4 VITRONECTIN RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORP (US) 2002-11-20 EP disclosed
US-5977101-A Benzimidazoles/Imidazoles Linked to a Fibrinogen Receptor Antagonist Template Having Vitronectin Receptor Antagonist Activity SMITHKLINE BEECHAM CORPORATION (US) 1999-11-02 US disclosed
EP-0767792-A1 VITRONECTIN RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORPORATION (US) 1997-04-16 EP disclosed
WO-1996000730-A1 VITRONECTIN RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORPORATION (US) 1996-01-11 WO disclosed