SCHEMBL9997367

SCHEMBL9997367

CCOc1ccc(B(O)OC(C)(C)C(C)(C)O)cn1

nearest known ligand 0.41

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.41
ACACB O00763 6/20 0.32
GPR119 Q8TDV5 1/20 0.31
CYP19A1 P11511 1/20 0.31
PIK3CD O00329 1/20 0.30
PIK3CA P42336 1/20 0.30
PIK3CB P42338 1/20 0.30
PI4KA P42356 1/20 0.30
PIK3CG P48736 1/20 0.30
PI4KB Q9UBF8 1/20 0.30
HPGD P15428 1/20 0.30
ACSS2 Q9NR19 1/20 0.30

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
SCHEMBL1502522 0.85 NNMT (0.37) MAPT
SCHEMBL12538799 0.85 L3MBTL1 (0.45) MAPT
SCHEMBL2067694 0.84 LIPE (0.37) ACACB
SCHEMBL2067366 0.82 CHEK2 (0.40)
SCHEMBL15051440 0.82 ACACB (0.37) ACACBPIK3CDPIK3CAPIK3CBPI4KA
SCHEMBL290041 0.79
SCHEMBL532324 0.79 KMT2A (0.36)
SCHEMBL1567949 0.79 ACACB (0.32) ACACBACSS2
SCHEMBL15059078 0.78
SCHEMBL395314 0.78 KDM4E (0.36)

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
WO-2011161201-A1 BISARYLSULFONAMIDES USEFUL AS KINASE INHIBITORS IN THE TREATMENT OF INFLAMMATION AND CANCER KANCERA AB (SE) 2011-12-29 WO disclosed