SCHEMBL22474331

SCHEMBL22474331

COc1cccc(CC(C)OC(=O)CNC(=O)c2nccc(OC)c2OCOC(C)=O)c1

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.39
POLB P06746 3/20 0.38
TP53 P04637 1/20 0.38
MAPT P10636 1/20 0.38
PPARA Q07869 1/20 0.38
EGLN1 Q9GZT9 2/20 0.37
GAA P10253 1/20 0.37
RAB9A P51151 1/20 0.37
APEX1 P27695 1/20 0.36
THRB P10828 1/20 0.35
ALDH1A1 P00352 1/20 0.35
MTNR1A P48039 1/20 0.35
MTNR1B P49286 1/20 0.35
NR3C2 P08235 1/20 0.35
HPGD P15428 1/20 0.35
KMT2A Q03164 1/20 0.35

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
SCHEMBL21850370 0.91 KMT2A (0.38) MAPTPPARAGAARAB9AKMT2A
SCHEMBL25021364 0.90 ALDH1A1 (0.36) MAPTEGLN1GAAALDH1A1KMT2A
SCHEMBL25021288 0.87 POLB (0.39) POLBTP53MAPTEGLN1ALDH1A1
SCHEMBL22474340 0.86 MAPT (0.38) SMN1; SMN2TP53MAPTPPARAEGLN1
SCHEMBL22474341 0.86 KMT2A (0.37) PPARAEGLN1THRBALDH1A1KMT2A
SCHEMBL25022102 0.86 EGLN1 (0.37) SMN1; SMN2POLBTP53MAPTEGLN1
SCHEMBL22474320 0.85 KMT2A (0.37) POLBEGLN1ALDH1A1HPGDKMT2A
SCHEMBL22474265 0.85 SMN1; SMN2 (0.43) SMN1; SMN2POLBTP53MAPTPPARA
SCHEMBL25021362 0.84 PPARA (0.38) MAPTPPARA
SCHEMBL21850464 0.84 MAPT (0.33) SMN1; SMN2MAPTPPARAGAAKMT2A

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
EP-3255991-B1 PICOLINAMIDES AS FUNGICIDES DOW AGROSCIENCES LLC (US) 2020-09-30 EP disclosed