SCHEMBL21850409

SCHEMBL21850409

CCC(CC1CC1)CC(C)OC(=O)CNC(=O)c1nccc(OC)c1OCOC(C)=O

nearest known ligand 0.31

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
RORC P51449 10/20 0.31
F2RL1 P55085 1/20 0.31
P2RX7 Q99572 3/20 0.31
ALDH1A1 P00352 1/20 0.30
HTT P42858 1/20 0.30
EGLN1 Q9GZT9 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
SCHEMBL21850464 0.88 MAPT (0.33)
SCHEMBL21850395 0.85 P2RX7 (0.33) RORCF2RL1P2RX7EGLN1
SCHEMBL21850370 0.82 KMT2A (0.38)
SCHEMBL21850403 0.82 EGLN1 (0.35) ALDH1A1HTTEGLN1
SCHEMBL21850461 0.81 GAA (0.33) ALDH1A1HTTEGLN1
SCHEMBL25021364 0.80 ALDH1A1 (0.36) ALDH1A1HTTEGLN1
SCHEMBL22474341 0.80 KMT2A (0.37) ALDH1A1EGLN1
SCHEMBL22474320 0.80 KMT2A (0.37) ALDH1A1EGLN1
SCHEMBL21850438 0.80 ALDH1A1 (0.32) ALDH1A1HTTEGLN1
SCHEMBL21985412 0.79 MAPK1 (0.31)

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