SCHEMBL6514719

SCHEMBL6514719

COCC/C(C(=O)O)=C(/CC(=O)c1cccc(C)c1)C(=O)O

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTNNB1 P35222 2/20 0.49
WNT3A P56704 2/20 0.49
SMN1; SMN2 Q16637 4/20 0.47
HDAC8 Q9BY41 2/20 0.45
HDAC6 Q9UBN7 2/20 0.45
MEN1 O00255 4/20 0.43
KMT2A Q03164 4/20 0.43
MAPT P10636 3/20 0.43
KDM4E B2RXH2 1/20 0.43
LMNA P02545 1/20 0.43
HPGD P15428 1/20 0.43
HTT P42858 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
ALDH1A1 P00352 1/20 0.43
RAB9A P51151 3/20 0.43
NPC1 O15118 2/20 0.43
KCNK3 O14649 3/20 0.43
KCNK9 Q9NPC2 3/20 0.43
POLB P06746 2/20 0.43
HDAC3 O15379 1/20 0.43

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
SCHEMBL6514732 1.00 CTNNB1 (0.49) CTNNB1WNT3ASMN1; SMN2HDAC8HDAC6
SCHEMBL6525919 0.86 KMT2A (0.50) SMN1; SMN2MEN1KMT2AMAPTKDM4E
SCHEMBL6525927 0.86 KMT2A (0.50) SMN1; SMN2MEN1KMT2AMAPTKDM4E
SCHEMBL6519196 0.85 CTNNB1 (0.45) CTNNB1WNT3ASMN1; SMN2HDAC8HDAC6
SCHEMBL6516415 0.79 MEN1 (0.51) CTNNB1WNT3ASMN1; SMN2HDAC8HDAC6
SCHEMBL6519839 0.79 SMN1; SMN2 (0.49) CTNNB1WNT3ASMN1; SMN2HDAC8HDAC6
SCHEMBL6516404 0.79 MEN1 (0.51) CTNNB1WNT3ASMN1; SMN2HDAC8HDAC6
SCHEMBL6519833 0.79 SMN1; SMN2 (0.49) CTNNB1WNT3ASMN1; SMN2HDAC8HDAC6
SCHEMBL6525838 0.78 L3MBTL1 (0.53) SMN1; SMN2HDAC8HDAC6MEN1KMT2A
SCHEMBL6525843 0.78 L3MBTL1 (0.53) SMN1; SMN2HDAC8HDAC6MEN1KMT2A

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-6958366-B2 Antifouling coating composition and novel resin DAINIPPON INK AND CHEMICALS, INC. (JP) 2005-10-25 US disclosed