SCHEMBL29938467

SCHEMBL29938467

COC(=O)c1cc(Oc2ccc(C(F)(F)F)cc2)ccc1OC

nearest known ligand 0.51

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PTPN7 P35236 1/20 0.51
DUSP3 P51452 1/20 0.51
MAPT P10636 2/20 0.50
KDM4E B2RXH2 1/20 0.50
CFTR P13569 1/20 0.50
MAPK1 P28482 1/20 0.49
ESRRA P11474 2/20 0.47
LMNA P02545 1/20 0.46
RAF1 P04049 3/20 0.46
RAB9A P51151 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
PPARA Q07869 2/20 0.45
SCN8A Q9UQD0 2/20 0.44
SCN10A Q9Y5Y9 2/20 0.44
KDR P35968 1/20 0.44
PLA2G2A P14555 1/20 0.44

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
SCHEMBL24749577 1.00 PTPN7 (0.51) PTPN7DUSP3MAPTKDM4ECFTR
SCHEMBL24750249 0.87 KDM4E (0.54) PTPN7DUSP3MAPTKDM4EMAPK1
SCHEMBL29938669 0.87 KDM4E (0.54) PTPN7DUSP3MAPTKDM4EMAPK1
SCHEMBL11212778 0.86 TDP1 (0.57) MAPTKDM4ECFTRMAPK1LMNA
SCHEMBL4070406 0.85 CFTR (0.62) MAPTKDM4ECFTRMAPK1ESRRA
SCHEMBL22452952 0.83 MAPT (0.51) PTPN7DUSP3MAPTKDM4ECFTR
SCHEMBL31042560 0.83 CFTR (0.52) PTPN7DUSP3CFTRESRRAPPARA
SCHEMBL31042561 0.83 CFTR (0.52) PTPN7DUSP3CFTRESRRAPPARA
SCHEMBL9503911 0.82 CA12 (0.55) MAPTKDM4ECFTRMAPK1LMNA
SCHEMBL22453445 0.81 TUBB4A (0.50) PTPN7DUSP3MAPTKDM4ECFTR

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
EP-4323338-A1 TEAD INHIBITORS Orion Corporation (FI) 2024-02-21 EP disclosed
WO-2022219246-A1 TEAD INHIBITORS ORION CORPORATION (FI) 2022-10-20 WO disclosed