SCHEMBL30997900

SCHEMBL30997900

COCCCC(=O)c1ccccc1OC

nearest known ligand 0.64

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HDAC8 Q9BY41 1/20 0.64
HDAC1 Q13547 1/20 0.64
CTNNB1 P35222 7/20 0.56
WNT3A P56704 7/20 0.56
CTSD P07339 1/20 0.56
NPC1 O15118 1/20 0.55
LMNA P02545 2/20 0.53
HPGD P15428 3/20 0.51
KMT2A Q03164 2/20 0.50
STAT3 P40763 2/20 0.50
ALDH1A1 P00352 1/20 0.50
HTT P42858 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.50
MEN1 O00255 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
IDO1 P14902 1/20 0.49
TDO2 P48775 1/20 0.49
TP53 P04637 1/20 0.49
GLA P06280 1/20 0.49

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
SCHEMBL22497707 1.00 HDAC8 (0.64) HDAC8HDAC1CTNNB1WNT3ACTSD
SCHEMBL15979734 0.86 CTNNB1 (0.71) HDAC8HDAC1CTNNB1WNT3ACTSD
SCHEMBL6626765 0.85 HDAC8 (0.66) HDAC8HDAC1CTNNB1WNT3ACTSD
SCHEMBL5311917 0.85 HDAC8 (0.66) HDAC8HDAC1CTNNB1WNT3ACTSD
SCHEMBL19043131 0.83 HDAC8 (0.64) HDAC8HDAC1CTNNB1WNT3ACTSD
SCHEMBL27688476 0.83 HDAC8 (0.68) HDAC8HDAC1CTNNB1WNT3ACTSD
SCHEMBL7460882 0.83 HDAC8 (0.64) HDAC8HDAC1CTNNB1WNT3ACTSD
SCHEMBL151368 0.83 HDAC8 (0.68) HDAC8HDAC1CTNNB1WNT3ACTSD
SCHEMBL8569591 0.82 HDAC8 (0.67) HDAC8HDAC1CTNNB1WNT3ACTSD
SCHEMBL27707962 0.82 HDAC8 (0.71) HDAC8HDAC1CTNNB1WNT3ACTSD

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
CN-113544129-B Tricyclic compound preparation method and application thereof in medicine field 上海华汇拓医药科技有限公司 2024-07-23 CN disclosed