SCHEMBL8533612

SCHEMBL8533612

CC(=O)CCC(=O)c1cccc(C)c1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTNNB1 P35222 4/20 0.62
WNT3A P56704 4/20 0.62
HPGD P15428 4/20 0.57
SMN1; SMN2 Q16637 3/20 0.57
KDM4E B2RXH2 2/20 0.57
PARP1 P09874 1/20 0.53
HDAC8 Q9BY41 1/20 0.50
HDAC6 Q9UBN7 1/20 0.50
TDP1 Q9NUW8 1/20 0.50
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
LMNA P02545 1/20 0.47
MAPT P10636 1/20 0.47
HTT P42858 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47
KCNK3 O14649 1/20 0.46
KCNH2 Q12809 1/20 0.46
KCNK9 Q9NPC2 1/20 0.46
POLB P06746 1/20 0.45
TAS1R3 Q7RTX0 1/20 0.44

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
SCHEMBL30089541 0.92 CTNNB1 (0.70) CTNNB1WNT3AHPGDSMN1; SMN2KDM4E
SCHEMBL29062364 0.92 CTNNB1 (0.70) CTNNB1WNT3AHPGDSMN1; SMN2KDM4E
SCHEMBL4937541 0.85 CTNNB1 (0.62) CTNNB1WNT3AHPGDSMN1; SMN2PARP1
SCHEMBL29698182 0.85 CTNNB1 (0.62) CTNNB1WNT3AHPGDSMN1; SMN2PARP1
SCHEMBL10790435 0.84 CTNNB1 (0.65) CTNNB1WNT3AHPGDSMN1; SMN2KDM4E
SCHEMBL2027904 0.83 CTNNB1 (0.59) CTNNB1WNT3AHPGDSMN1; SMN2KDM4E
SCHEMBL3039881 0.83 HDAC8 (0.56) CTNNB1WNT3AHPGDSMN1; SMN2KDM4E
SCHEMBL10788703 0.83 CTNNB1 (0.64) CTNNB1WNT3AHPGDSMN1; SMN2KDM4E
SCHEMBL15980082 0.82 CTNNB1 (0.63) CTNNB1WNT3AHPGDSMN1; SMN2KDM4E
SCHEMBL11382023 0.81 CTNNB1 (0.58) CTNNB1WNT3AHPGDSMN1; SMN2KDM4E

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
EP-0885869-A1 THERAPEUTIC AGENT FOR DIABETES Japan Tobacco Inc. (JP) 1998-12-23 EP disclosed