SCHEMBL10429075

SCHEMBL10429075

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

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTNNB1 P35222 2/20 0.48
WNT3A P56704 2/20 0.48
PARP1 P09874 1/20 0.46
HPGD P15428 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
HDAC8 Q9BY41 1/20 0.44
HDAC6 Q9UBN7 1/20 0.44
RAB9A P51151 2/20 0.43
SMN1; SMN2 Q16637 2/20 0.41
KCNK3 O14649 2/20 0.41
KCNK9 Q9NPC2 2/20 0.41
KCNH2 Q12809 1/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
GAA P10253 2/20 0.40
KDM4E B2RXH2 1/20 0.40
ALDH1A1 P00352 1/20 0.40
NT5E P21589 1/20 0.40
NPC1 O15118 1/20 0.40
POLB P06746 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
SCHEMBL8626440 0.78 HDAC8 (0.50) CTNNB1WNT3APARP1HDAC8HDAC6
SCHEMBL28534111 0.77 HPGD (0.46) CTNNB1WNT3APARP1HPGDTDP1
SCHEMBL1210113 0.75 CTNNB1 (0.58) CTNNB1WNT3APARP1HPGDTDP1
SCHEMBL31309786 0.75 CTNNB1 (0.58) CTNNB1WNT3APARP1HPGDTDP1
SCHEMBL27582425 0.72 PARP1 (0.59) PARP1HPGDTDP1HDAC8HDAC6
SCHEMBL30114847 0.71 VCP (0.68) PARP1HDAC8HDAC6SMN1; SMN2KCNK3
SCHEMBL5593353 0.71 VCP (0.63) PARP1HPGDTDP1HDAC8HDAC6
SCHEMBL28874159 0.71 CTNNB1 (0.54) CTNNB1WNT3APARP1HPGDTDP1
SCHEMBL5592874 0.71 VCP (0.68) PARP1HDAC8HDAC6SMN1; SMN2KCNK3
SCHEMBL6932732 0.71 PARP1 (0.57) PARP1HPGDTDP1HDAC8HDAC6

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-4929741-A ANTISECRETORY AGENTS, GASTRIC JUICE, ANTIULCER AGENTS HOFFMAN-LA ROCHE INC. (US) 1990-05-29 US disclosed