SCHEMBL6153351

SCHEMBL6153351

CCCc1nc(NC2CC(C)(c3cc(OC)cc(OC)c3)OC2=O)ncc1C(=O)O

nearest known ligand 0.33

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
FLT3 P36888 1/20 0.33
TYRO3 Q06418 1/20 0.33
MERTK Q12866 1/20 0.33
GAS6 Q14393 1/20 0.33
HDAC3 O15379 1/20 0.32
HDAC1 Q13547 1/20 0.32
HDAC2 Q92769 1/20 0.32
HDAC6 Q9UBN7 1/20 0.32
GAA P10253 1/20 0.32
HSP90AA1 P07900 1/20 0.31

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
SCHEMBL6152667 0.92 HSP90AA1 (0.42) GAAHSP90AA1
SCHEMBL5778733 0.66 HTR6 (0.31)
SCHEMBL6153187 0.65 MAPT (0.38) GAAHSP90AA1
SCHEMBL17395292 0.61 TRPV1 (0.43) FLT3TYRO3MERTKGAS6GAA
SCHEMBL1658318 0.57 HSP90AA1 (0.68) HSP90AA1
SCHEMBL4164161 0.57 HSP90AA1 (0.41) HSP90AA1
SCHEMBL8398081 0.56 HSP90AA1 (0.69) HSP90AA1
SCHEMBL6153035 0.56 ALDH1A1 (0.39)
SCHEMBL7824106 0.56 KDM4E (0.45)
SCHEMBL16824262 0.54 ALDH1A1 (0.46) TYRO3MERTKGAS6HDAC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1406610-B1 USE OF SUBSTITUTED GAMMA-LACTONE COMPOUNDS AS MEDICAMENTS GRUENENTHAL GMBH (DE) 2005-01-26 EP claimed
US-6943181-B2 Use of substituted gamma-lactone compounds as pharmaceutical preparations GRUNENTHAL GMBH (DE) 2005-09-13 US disclosed