SCHEMBL4257798

SCHEMBL4257798

C=CCCCCC(NC(=O)OC1CCCC1)C(=O)O

nearest known ligand 0.49

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HDAC4 P56524 1/20 0.49
HDAC1 Q13547 1/20 0.49
EPHX1 P07099 2/20 0.40
TGM2 P21980 7/20 0.37
SMN1; SMN2 Q16637 1/20 0.36
ITGB3 P05106 1/20 0.36
ITGAV P06756 1/20 0.36
CASP1 P29466 1/20 0.35
CPB2 Q96IY4 5/20 0.35
LMNA P02545 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
SCHEMBL4257792 1.00 HDAC4 (0.49) HDAC4HDAC1EPHX1TGM2SMN1; SMN2
SCHEMBL1445009 0.99 HDAC4 (0.51) HDAC4HDAC1EPHX1TGM2SMN1; SMN2
SCHEMBL2812234 0.99 HDAC4 (0.51) HDAC4HDAC1EPHX1TGM2SMN1; SMN2
SCHEMBL5740541 0.92 HDAC4 (0.54) HDAC4HDAC1EPHX1TGM2SMN1; SMN2
SCHEMBL2808344 0.86 HDAC4 (0.49) HDAC4HDAC1EPHX1SMN1; SMN2CASP1
SCHEMBL2808340 0.86 HDAC4 (0.49) HDAC4HDAC1EPHX1SMN1; SMN2CASP1
SCHEMBL693600 0.85 HDAC4 (0.45) HDAC4HDAC1EPHX1TGM2SMN1; SMN2
SCHEMBL8158076 0.84 HDAC4 (0.47) HDAC4HDAC1EPHX1SMN1; SMN2CASP1
SCHEMBL12709002 0.83 EPHX1 (0.40) HDAC4HDAC1EPHX1SMN1; SMN2ITGB3
SCHEMBL28263995 0.82 HDAC4 (0.52) HDAC4HDAC1EPHX1CPB2

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
WO-2009046098-A1 NOVEL CYCLIC BORONATE INHIBITORS OF HCV REPLICATION SMITHKLINE BEECHAM CORPORATION (US) 2009-04-09 WO disclosed