SCHEMBL6514724

SCHEMBL6514724

COCCOC(=O)/C=C/C(=O)OCC(=O)c1cccc(C)c1

nearest known ligand 0.45

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CTNNB1 P35222 1/20 0.45
WNT3A P56704 1/20 0.45
ALOX5 P09917 1/20 0.45
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
HDAC8 Q9BY41 1/20 0.41
HDAC6 Q9UBN7 1/20 0.41
GAA P10253 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
ALDH1A1 P00352 2/20 0.41
KDM4E B2RXH2 1/20 0.41
MAPT P10636 2/20 0.40
GPR52 Q9Y2T5 1/20 0.40
TDP1 Q9NUW8 2/20 0.40
POLB P06746 1/20 0.40
EPHX2 P34913 1/20 0.40
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
PARP1 P09874 1/20 0.40

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
SCHEMBL6519835 0.88 CTNNB1 (0.48) CTNNB1WNT3AMEN1KMT2AHDAC8
SCHEMBL6525924 0.85 KMT2A (0.56) MEN1KMT2ASMN1; SMN2ALDH1A1KDM4E
SCHEMBL6516413 0.83 LMNA (0.49) CTNNB1WNT3AALOX5MEN1KMT2A
SCHEMBL6518813 0.82 KMT2A (0.47) CTNNB1WNT3AMEN1KMT2AGAA
SCHEMBL6525842 0.81 HCAR2 (0.55) KMT2ASMN1; SMN2MAPTGPR52TDP1
SCHEMBL1210113 0.78 CTNNB1 (0.58) CTNNB1WNT3AMEN1KMT2AHDAC8
SCHEMBL31309786 0.78 CTNNB1 (0.58) CTNNB1WNT3AMEN1KMT2AHDAC8
SCHEMBL6523183 0.78 NPC1 (0.42) CTNNB1WNT3AMEN1KMT2AALDH1A1
SCHEMBL6519191 0.77 SMN1; SMN2 (0.42) CTNNB1WNT3AMEN1KMT2AHDAC8
Ammonia Solution, Strong SCHEMBL27753064 0.76 L3MBTL1 (0.54) HDAC8HDAC6SMN1; SMN2NPC1RAB9A

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