SCHEMBL6778093

SCHEMBL6778093

COc1cc(CCC(=O)O)cc2c1OC(NC(=O)CNC(=O)c1cccc(NC(=N)N)c1)O2

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.43
ITGB3 P05106 4/20 0.39
ITGA2B P08514 4/20 0.39
ITGAV P06756 3/20 0.39
ALDH1A1 P00352 4/20 0.38
HPGD P15428 1/20 0.38
MAPT P10636 1/20 0.38
F2 P00734 1/20 0.36
SENP1 Q9P0U3 1/20 0.36
KMT2A Q03164 2/20 0.36
MEN1 O00255 1/20 0.35
CCR2 P41597 1/20 0.35
ITGB1 P05556 2/20 0.35
ITGB5 P18084 2/20 0.35
RXFP1 Q9HBX9 1/20 0.35
PDE4A P27815 1/20 0.34
PDE4B Q07343 1/20 0.34
PDE4C Q08493 1/20 0.34
PDE4D Q08499 1/20 0.34

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
SCHEMBL7340274 0.89 LMNA (0.39) LMNAITGB3ITGA2BITGAVALDH1A1
SCHEMBL7338324 0.85 ITGB3 (0.46) LMNAITGB3ITGA2BITGAVALDH1A1
SCHEMBL6777064 0.85 ITGB3 (0.46) LMNAITGB3ITGA2BITGAVALDH1A1
SCHEMBL6778443 0.79 SMN1; SMN2 (0.39) LMNAITGB3ITGA2BITGAVMAPT
SCHEMBL7346500 0.75 ITGB3 (0.60) ITGB3ITGA2BITGAVALDH1A1HPGD
SCHEMBL7343422 0.75 ITGB3 (0.43) ITGB3ITGA2BITGAVALDH1A1HPGD
SCHEMBL7344043 0.74 ITGB3 (0.47) LMNAITGB3ITGA2BITGAVALDH1A1
SCHEMBL7348317 0.74 LMNA (0.52) LMNAALDH1A1HPGDMAPTKMT2A
SCHEMBL7349763 0.73 ITGB3 (0.48) LMNAITGB3ITGA2BITGAVALDH1A1
SCHEMBL7338187 0.73 PPARG (0.48) LMNAALDH1A1HPGDSENP1KMT2A

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-0850221-B1 META-GUANIDINE, UREA, THIOUREA OR AZACYCLIC AMINO BENZOIC ACID DERIVATIVES AS INTEGRIN ANTAGONISTS SEARLE & CO (US) 2001-07-18 EP claimed
EP-0850221-A1 META-GUANIDINE, UREA, THIOUREA OR AZACYCLIC AMINO BENZOIC ACID DERIVATIVES AS INTEGRIN ANTAGONISTS G.D. SEARLE & CO. (US) 1998-07-01 EP claimed
WO-1997008145-A1 META-GUANIDINE, UREA, THIOUREA OR AZACYCLIC AMINO BENZOIC ACID DERIVATIVES AS INTEGRIN ANTAGONISTS G.D. SEARLE & CO. (US) 1997-03-06 WO 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
EP-0850221-A1 META-GUANIDINE, UREA, THIOUREA OR AZACYCLIC AMINO BENZOIC ACID DERIVATIVES AS INTEGRIN ANTAGONISTS G.D. SEARLE & CO. (US) 1998-07-01 EP disclosed
WO-1997008145-A1 META-GUANIDINE, UREA, THIOUREA OR AZACYCLIC AMINO BENZOIC ACID DERIVATIVES AS INTEGRIN ANTAGONISTS G.D. SEARLE & CO. (US) 1997-03-06 WO disclosed