SCHEMBL27558552

SCHEMBL27558552

Cc1cc(C)c(N(C(CNC(=O)c2cn(CCc3ccccc3)c3c(F)c(CNc4nc5c([nH]4)CCCC5)c(F)cc3c2=O)C(=O)O)[SH](=O)=O)c(C)c1

nearest known ligand 0.35

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 6/20 0.35
ALDH1A1 P00352 4/20 0.35
HPGD P15428 3/20 0.35
ITGB3 P05106 2/20 0.33
ITGAV P06756 2/20 0.33
LMNA P02545 1/20 0.32
GAA P10253 1/20 0.32
MAPT P10636 1/20 0.32
HTT P42858 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
PKM P14618 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
POLB P06746 1/20 0.31
BCHE P06276 5/20 0.31
CHRM1 P11229 5/20 0.31
ACHE P22303 5/20 0.31
CLPP Q16740 2/20 0.30

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
SCHEMBL27557075 0.90 KDM4E (0.32) KDM4EITGB3ITGAV
SCHEMBL27577324 0.90 KDM4E (0.36) KDM4EALDH1A1HPGDITGB3ITGAV
SCHEMBL27577338 0.89 KDM4E (0.35) KDM4EALDH1A1HPGDITGB3ITGAV
SCHEMBL27577414 0.87 KDM4E (0.36) KDM4EALDH1A1HPGDITGB3ITGAV
SCHEMBL27580818 0.86 ITGB3 (0.44) KDM4EALDH1A1HPGDITGB3ITGAV
SCHEMBL1069186 0.86 ITGAV (0.47) ITGB3ITGAV
SCHEMBL28747036 0.85 KDM4E (0.38) KDM4EALDH1A1HPGDITGB3ITGAV
SCHEMBL27577314 0.84 KDM4E (0.38) KDM4EALDH1A1HPGDITGB3ITGAV
SCHEMBL27580887 0.81 KDM4E (0.35) KDM4EALDH1A1HPGDITGB3ITGAV
SCHEMBL27577312 0.80 ITGAV (0.35) KDM4EALDH1A1ITGB3ITGAVLMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1582166-A Vitronectin receptor antagonist pharmaceuticals for use in combination therapy BRISTOL MYERS SQUIBB PHARMA CO (US) 2005-02-16 CN claimed
CN-1541115-A Smulaneous imaging of cardiac perfusion and vitronection receptor targeted imaging agent ����˹�ж�-����˹˹����ҩƷ��˾ 2004-10-27 CN claimed
CN-1356913-A vitronectin receptor antagonist drugs DU PONT PHARM CO (US) 2002-07-03 CN claimed
CN-1582166-A Vitronectin receptor antagonist pharmaceuticals for use in combination therapy BRISTOL MYERS SQUIBB PHARMA CO (US) 2005-02-16 CN disclosed
CN-1541115-A Smulaneous imaging of cardiac perfusion and vitronection receptor targeted imaging agent ����˹�ж�-����˹˹����ҩƷ��˾ 2004-10-27 CN disclosed
CN-1356913-A vitronectin receptor antagonist drugs DU PONT PHARM CO (US) 2002-07-03 CN disclosed