SCHEMBL6889607

SCHEMBL6889607

Cc1cc(OCCCC(=O)NCCCOCCOCCOCCCN(C=O)OCc2ccccc2)cc(C)c1S(=O)(=O)NC(CNC(=O)OC(C)(C)C)C(=O)O

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.35
EPOR P19235 3/20 0.34
BCHE P06276 1/20 0.34
CNR2 P34972 1/20 0.34
AVPR1B P47901 1/20 0.34
HPGD P15428 2/20 0.33
ITGB3 P05106 6/20 0.33
ITGAV P06756 5/20 0.33
ITGA2B P08514 5/20 0.33
ITGB1 P05556 4/20 0.33
ITGA5 P08648 4/20 0.33
ITGB5 P18084 2/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
EGFR P00533 1/20 0.33
ITK Q08881 1/20 0.33
CA12 O43570 1/20 0.33
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
CA9 Q16790 1/20 0.33

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
SCHEMBL7676093 0.95 SMN1; SMN2 (0.34) SMN1; SMN2EPORBCHECNR2AVPR1B
SCHEMBL6892894 0.89 SMN1; SMN2 (0.39) SMN1; SMN2EPORAVPR1BHPGDMEN1
SCHEMBL4955666 0.88 MMP2 (0.42) SMN1; SMN2ITGB3ITGAVITGA2BITGB1
SCHEMBL7667809 0.85 SMN1; SMN2 (0.38) SMN1; SMN2EPORAVPR1BHPGDMEN1
SCHEMBL14271433 0.83 MAPT (0.40) SMN1; SMN2HPGDMEN1KMT2ACA12
SCHEMBL4654777 0.83 MAPT (0.40) SMN1; SMN2HPGDMEN1KMT2ACA12
SCHEMBL27608126 0.83 MMP2 (0.43) HPGDITGB3ITGAVITGA2BITGB1
SCHEMBL4381805 0.83 MMP2 (0.43) HPGDITGB3ITGAVITGA2BITGB1
SCHEMBL6888752 0.80 MMP2 (0.44)
SCHEMBL8313513 0.78 SYK (0.42) HPGDCA1CA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6683163-B2 MONITORING ANGIOGENESIS FACTOR BRISTOL-MYERS SQUIBB PHARMA COMPANY 2004-01-27 US disclosed