SCHEMBL10053239

SCHEMBL10053239

C=C(O)c1cccc(C(C)C)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RXRA P19793 1/20 0.47
RXRB P28702 1/20 0.47
RXRG P48443 1/20 0.47
SMN1; SMN2 Q16637 5/20 0.46
MAPT P10636 4/20 0.46
ALDH1A1 P00352 3/20 0.46
KDM4E B2RXH2 2/20 0.46
CYP3A4 P08684 2/20 0.46
HPGD P15428 2/20 0.46
HDAC4 P56524 2/20 0.46
HDAC8 Q9BY41 2/20 0.46
MDM4 O15151 1/20 0.46
CA1 P00915 1/20 0.46
CA2 P00918 1/20 0.46
TP53 P04637 1/20 0.46
TYR P14679 1/20 0.46
ALOX15 P16050 1/20 0.46
ALOX12 P18054 1/20 0.46
CA5A P35218 1/20 0.46
HTT P42858 1/20 0.46

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
SCHEMBL16105765 0.84 KAT6A (0.47) RXRARXRBRXRGSMN1; SMN2MAPT
SCHEMBL299924 0.83 MAPT (0.46) RXRARXRBRXRGSMN1; SMN2MAPT
SCHEMBL31529664 0.83 MAPT (0.46) RXRARXRBRXRGSMN1; SMN2MAPT
SCHEMBL22598511 0.82 MAPT (0.44) RXRARXRBRXRGSMN1; SMN2MAPT
SCHEMBL11885442 0.82 MAPT (0.44) RXRARXRBRXRGSMN1; SMN2MAPT
Hydrogen Peroxide SCHEMBL1877668 0.79 HDAC4 (0.58) RXRARXRBRXRGSMN1; SMN2MAPT
Hydrogen Peroxide SCHEMBL28407249 0.79 HDAC4 (0.58) RXRARXRBRXRGSMN1; SMN2MAPT
Hydrogen Peroxide SCHEMBL315899 0.79 HDAC4 (0.58) RXRARXRBRXRGSMN1; SMN2MAPT
SCHEMBL30444032 0.79 RXRA (0.66) RXRARXRBRXRGSMN1; SMN2MAPT
SCHEMBL105264 0.79 RXRA (0.66) RXRARXRBRXRGSMN1; SMN2MAPT

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-8106031-B2 Hydrolytically-resistant boron-containing therapeutics and methods of use ANACOR PHARMACEUTICALS, INC. (US) 2012-01-31 US disclosed