SCHEMBL31335176

SCHEMBL31335176

C#CCSc1ccc(CO)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 2/20 0.50
CA1 P00915 2/20 0.50
CA2 P00918 2/20 0.50
CA4 P22748 2/20 0.50
CA9 Q16790 2/20 0.50
DAO P14920 1/20 0.39
TSHR P16473 1/20 0.36
RAB9A P51151 2/20 0.33
LMNA P02545 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33
MAPT P10636 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
PTGS2 P35354 1/20 0.33
PRSS1 P07477 1/20 0.33
PRSS2 P07478 1/20 0.33
PRSS3 P35030 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33

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
SCHEMBL25080825 0.79 DAO (0.39) CA12CA1CA2CA4CA9
SCHEMBL31335132 0.77 ENPP2 (0.39) CA12CA1CA2CA4CA9
SCHEMBL3886551 0.75 PTGS2 (0.39) DAOTSHRPTGS2PRSS1PRSS2
SCHEMBL5178079 0.74 CA12 (0.53) CA12CA1CA2CA4CA9
SCHEMBL10959400 0.74 CA12 (0.53) CA12CA1CA2CA4CA9
SCHEMBL726899 0.73 ALDH1A1 (0.52) CA12CA1CA2CA4CA9
SCHEMBL10743672 0.71 DAO (0.42) CA12CA1CA2CA4CA9
SCHEMBL9712031 0.71 CA2 (0.52) CA12CA1CA2CA4CA9
SCHEMBL708720 0.71 SLC6A4 (0.53) CA12CA1CA2CA4CA9
SCHEMBL3694910 0.70 TSHR (0.43) CA12CA1CA2CA4CA9

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-119278034-A Selective histone deacetylase 8 (HDAC 8) degradants and methods of use thereof 丹娜-法伯癌症研究院 2025-01-07 CN disclosed