SCHEMBL21850403

SCHEMBL21850403

CCCCC(C)OC(=O)CNC(=O)c1nccc(OC)c1OCOC(C)=O

nearest known ligand 0.35

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
EGLN1 Q9GZT9 1/20 0.35
MAPT P10636 1/20 0.33
ALDH1A1 P00352 2/20 0.33
HTT P42858 1/20 0.33
TSHR P16473 1/20 0.33
FAAH O00519 3/20 0.33
CNR2 P34972 6/20 0.33
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
TAS1R3 Q7RTX0 1/20 0.32
TAS1R1 Q7RTX1 1/20 0.32
EPHX2 P34913 1/20 0.31
SMPD1 P17405 1/20 0.31
POLB P06746 1/20 0.31
CNR1 P21554 1/20 0.31

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
SCHEMBL21850438 0.90 ALDH1A1 (0.32) EGLN1ALDH1A1HTTMEN1KMT2A
SCHEMBL21850427 0.90 EGLN1 (0.36) EGLN1MAPTALDH1A1HTTTSHR
SCHEMBL21850416 0.86 CNR2 (0.35) MAPTTSHRFAAHCNR2TAS1R3
SCHEMBL21850370 0.85 KMT2A (0.38) MAPTTSHRMEN1KMT2ACNR1
SCHEMBL25021364 0.84 ALDH1A1 (0.36) EGLN1MAPTALDH1A1HTTTSHR
SCHEMBL22474341 0.84 KMT2A (0.37) EGLN1ALDH1A1MEN1KMT2A
SCHEMBL21850397 0.83 EGLN1 (0.40) EGLN1MAPTTSHRFAAHCNR2
SCHEMBL22474320 0.83 KMT2A (0.37) EGLN1ALDH1A1CNR2MEN1KMT2A
SCHEMBL22474340 0.82 MAPT (0.38) EGLN1MAPTMEN1KMT2ASMPD1
SCHEMBL21850409 0.82 RORC (0.31) EGLN1ALDH1A1HTT

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-3240408-B1 PICOLINAMIDES WITH FUNGICIDAL ACTIVITY DOW AGROSCIENCES LLC (US) 2020-04-08 EP disclosed