SCHEMBL28609486

SCHEMBL28609486

COC(=O)c1cc(O)c(Br)c(C(=O)O)c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.56
KDM4E B2RXH2 3/20 0.56
XDH P47989 2/20 0.56
POLB P06746 1/20 0.56
GAA P10253 1/20 0.56
NFKB1 P19838 1/20 0.56
GFER P55789 1/20 0.56
NFKB2 Q00653 1/20 0.56
RELA Q04206 1/20 0.56
FUT7 Q11130 1/20 0.56
TDP1 Q9NUW8 1/20 0.56
L3MBTL1 Q9Y468 1/20 0.56
CA12 O43570 4/20 0.49
CA1 P00915 4/20 0.49
CA2 P00918 4/20 0.49
CA7 P43166 4/20 0.49
CA9 Q16790 4/20 0.49
CA14 Q9ULX7 4/20 0.49
TPMT P51580 4/20 0.47
CNR2 P34972 2/20 0.46

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
SCHEMBL21821501 0.89 LMNA (0.60) LMNAKDM4EXDHPOLBGAA
SCHEMBL29853860 0.89 LMNA (0.60) LMNAKDM4EXDHPOLBGAA
SCHEMBL289398 0.85 LMNA (0.69) LMNAKDM4EXDHPOLBGAA
SCHEMBL27732334 0.82 KDM4E (0.71) LMNAKDM4EXDHPOLBGAA
SCHEMBL28613409 0.81 LCK (0.50) LMNAKDM4EXDHPOLBGAA
SCHEMBL29093744 0.81 KDM4E (0.51) LMNAKDM4EXDHPOLBGAA
SCHEMBL21821500 0.81 CA1 (0.54) LMNAKDM4EPOLBGAAFUT7
SCHEMBL26579409 0.79 LMNA (0.60) LMNAKDM4EXDHPOLBGAA
SCHEMBL22828496 0.77 CA1 (0.54) LMNAKDM4EXDHPOLBGAA
SCHEMBL731509 0.77 KDM4E (0.58) LMNAKDM4EXDHPOLBGAA

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113039182-B Inhibitors of YAP/TAZ-TEAD interactions and their use in cancer treatment 伊文蒂瓦公司 2024-02-20 CN disclosed
CN-113039182-A Inhibitors of YAP/TAZ-TEAD interaction and their use in cancer treatment 伊文蒂瓦公司 2021-06-25 CN disclosed