SCHEMBL6783235

SCHEMBL6783235

O=C(O)CC(NC(=O)CNC(=O)c1cccc(NC(=O)NCc2ccccc2)c1)c1ccc2c(c1)OCO2

nearest known ligand 0.60

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 7/20 0.60
ITGAV P06756 3/20 0.60
GSK3B P49841 1/20 0.56
HSD17B10 Q99714 1/20 0.51
ITGA2B P08514 5/20 0.49
MEN1 O00255 3/20 0.47
KMT2A Q03164 3/20 0.47
RAB9A P51151 3/20 0.47
NPC1 O15118 2/20 0.47
AGBL2 Q5U5Z8 1/20 0.46
LMNA P02545 1/20 0.46
MAPK1 P28482 1/20 0.46
MMP13 P45452 1/20 0.46
KDM4E B2RXH2 1/20 0.45
ALDH1A1 P00352 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45

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
SCHEMBL7834692 0.92 ITGB3 (0.54) ITGB3ITGAVHSD17B10ITGA2BMEN1
SCHEMBL6778762 0.90 ITGB3 (0.51) ITGB3ITGAVGSK3BHSD17B10MEN1
SCHEMBL6778398 0.87 ITGB3 (0.59) ITGB3ITGAVMEN1KMT2ALMNA
SCHEMBL7835493 0.86 ITGB3 (0.53) ITGB3ITGAVGSK3BLMNAMAPK1
SCHEMBL6777052 0.86 ITGB3 (0.59) ITGB3ITGAVHSD17B10ITGA2BMEN1
SCHEMBL7377590 0.84 GSK3B (0.58) ITGB3ITGAVGSK3BHSD17B10MEN1
SCHEMBL6773510 0.84 ITGB3 (0.54) ITGB3ITGAVMEN1KMT2ARAB9A
SCHEMBL6778847 0.83 ITGB3 (0.53) ITGB3ITGAVMEN1KMT2A
SCHEMBL27484811 0.82 ITGB3 (0.52) ITGB3ITGAVHSD17B10ITGA2BMEN1
SCHEMBL240965 0.81 ITGB3 (0.59) ITGB3ITGAVITGA2BNPC1LMNA

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-0850221-B1 META-GUANIDINE, UREA, THIOUREA OR AZACYCLIC AMINO BENZOIC ACID DERIVATIVES AS INTEGRIN ANTAGONISTS SEARLE & CO (US) 2001-07-18 EP claimed
US-6831199-B1 In order to avoid bleeding side-effects when treating the conditions associated with integrin alpha v beta 3, it is beneficial to have compounds which are selective antagonists for alpha v beta 3 versus alpha IIb beta 3 G. D. SEARLE & CO. 2004-12-14 US disclosed
EP-0850221-B1 META-GUANIDINE, UREA, THIOUREA OR AZACYCLIC AMINO BENZOIC ACID DERIVATIVES AS INTEGRIN ANTAGONISTS SEARLE & CO (US) 2001-07-18 EP disclosed
US-6028223-A AN INTEGRIN ANTAGONISTS TREATING BONE DISORDER, PERIODONTAL DISEASE, OSTEOPOROSIS, HUMORAL HYPERCALCEMIA OF MALIGNANCY, PAGET'S DISEASE, TUMOR ANGIOGENESIS, DIABETIC RETINOPATHY, ARTHRITIS, SMOOTH MUSCLE CELL MIGRATION AND RESTENOSIS G. D. SEARLE & CO. (US) 2000-02-22 US disclosed