SCHEMBL31520153

SCHEMBL31520153

COC(=O)c1cc(C)c(O)c(C#N)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.50
LMNA P02545 3/20 0.50
TDP1 Q9NUW8 3/20 0.50
GAA P10253 2/20 0.50
XDH P47989 2/20 0.50
POLB P06746 1/20 0.50
NFKB1 P19838 1/20 0.50
GFER P55789 1/20 0.50
NFKB2 Q00653 1/20 0.50
RELA Q04206 1/20 0.50
FUT7 Q11130 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.50
CA12 O43570 3/20 0.47
CA1 P00915 3/20 0.47
CA2 P00918 3/20 0.47
CA7 P43166 3/20 0.47
CA9 Q16790 3/20 0.47
CA14 Q9ULX7 3/20 0.47
CNR2 P34972 1/20 0.41
ESR1 P03372 2/20 0.41

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
SCHEMBL32669678 1.00 KDM4E (0.50) KDM4ELMNATDP1GAAXDH
SCHEMBL30740886 0.90 KDM4E (0.57) KDM4ELMNATDP1GAAXDH
SCHEMBL14448995 0.85 GAA (0.44) KDM4ELMNATDP1GAAXDH
SCHEMBL10322828 0.82 KDM4E (0.49) KDM4ELMNATDP1GAAXDH
SCHEMBL22308196 0.82 KDM4E (0.49) KDM4ELMNATDP1GAAXDH
SCHEMBL31520159 0.82 KDM4E (0.53) KDM4ELMNATDP1GAAXDH
SCHEMBL18031473 0.82 GAA (0.49) KDM4ELMNATDP1GAAXDH
SCHEMBL10323175 0.82 GAA (0.49) KDM4ELMNATDP1GAAXDH
SCHEMBL198717 0.82 KDM4E (0.65) KDM4ELMNATDP1GAAXDH
SCHEMBL18629883 0.81 CA5A (0.42) KDM4ELMNAGAAL3MBTL1ALDH1A1

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-119546566-A FTO inhibitors 瑞璞鑫(苏州)生物科技有限公司 2025-02-28 CN disclosed