SCHEMBL7368949

SCHEMBL7368949

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

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 2/20 0.50
ITGA2B P08514 2/20 0.50
MEN1 O00255 4/20 0.49
KMT2A Q03164 4/20 0.49
NPC1 O15118 2/20 0.48
RAB9A P51151 2/20 0.48
SMN1; SMN2 Q16637 2/20 0.48
HPGD P15428 1/20 0.48
SMPD1 P17405 2/20 0.45
HDAC1 Q13547 1/20 0.45
HDAC8 Q9BY41 1/20 0.45
HDAC6 Q9UBN7 1/20 0.45
LTB4R Q15722 1/20 0.42
LTB4R2 Q9NPC1 1/20 0.42
ABCB1 P08183 2/20 0.42
EGFR P00533 1/20 0.42
MAPK1 P28482 1/20 0.41
KDM4E B2RXH2 2/20 0.41
MAPT P10636 2/20 0.40
ALDH1A1 P00352 1/20 0.40

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
SCHEMBL8363349 0.90 ITGB3 (0.61) ITGB3ITGA2BMEN1KMT2ANPC1
SCHEMBL21480766 0.89 HPGD (0.57) ITGB3ITGA2BMEN1KMT2ANPC1
SCHEMBL21480738 0.82 ITGB3 (0.48) ITGB3ITGA2BMEN1KMT2ANPC1
SCHEMBL7368947 0.81 KMT2A (0.59) MEN1KMT2ANPC1RAB9ASMN1; SMN2
SCHEMBL23040671 0.80 HPGD (0.44) ITGB3ITGA2BMEN1KMT2ANPC1
SCHEMBL10601747 0.80 EGFR (0.65) ITGB3ITGA2BMEN1KMT2ANPC1
SCHEMBL7363023 0.80 ITGB3 (0.49) ITGB3ITGA2BMEN1KMT2AKDM4E
SCHEMBL10603957 0.80 EGFR (0.53) ITGB3ITGA2BMEN1KMT2ANPC1
SCHEMBL8639977 0.80 PRSS1 (0.42) NPC1RAB9ASMN1; SMN2ABCB1MAPK1
SCHEMBL25461074 0.80 ABCB1 (0.55) KMT2ANPC1RAB9AHPGDHDAC1

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 8 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-6028087-A Platelet aggregation inhibiting compounds SMITHKLINE BEECHAM CORPORATION (US) 2000-02-22 US 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
EP-0677043-A4 1995-11-22 EP disclosed
EP-0677043-A1 PLATELET AGGREGATION INHIBITING COMPOUNDS SMITHKLINE BEECHAM CORPORATION (US) 1995-10-18 EP disclosed
WO-1994014775-A1 PLATELET AGGREGATION INHIBITING COMPOUNDS SMITHKLINE BEECHAM CORPORATION (US) 1994-07-07 WO disclosed