SCHEMBL21850397

SCHEMBL21850397

CCCCC(C)OC(=O)CNC(=O)c1nccc(OC)c1O

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGLN1 Q9GZT9 4/20 0.40
MAPT P10636 1/20 0.37
TAS1R3 Q7RTX0 1/20 0.37
TAS1R1 Q7RTX1 1/20 0.37
TSHR P16473 1/20 0.36
FAAH O00519 4/20 0.34
CNR1 P21554 1/20 0.34
CNR2 P34972 1/20 0.34
SMPD1 P17405 1/20 0.34
KDM4E B2RXH2 1/20 0.34
NPC1 O15118 1/20 0.34
HSP90AA1 P07900 1/20 0.34
MAPK1 P28482 1/20 0.34
RAB9A P51151 1/20 0.34
PAX8 Q06710 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
VEGFA P15692 1/20 0.34
FLT1 P17948 1/20 0.34

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
SCHEMBL21850350 0.89 EGLN1 (0.35) EGLN1TAS1R3TAS1R1TSHRSMPD1
SCHEMBL25022213 0.87 CYP19A1 (0.40) EGLN1MAPTTDP1MEN1KMT2A
SCHEMBL21850427 0.86 EGLN1 (0.36) EGLN1MAPTTSHRFAAHCNR1
SCHEMBL21985753 0.85 EGLN1 (0.35) EGLN1TAS1R3TAS1R1KDM4EMEN1
SCHEMBL21850373 0.84 KMT2A (0.41) EGLN1NPC1RAB9AMEN1KMT2A
SCHEMBL21850403 0.83 EGLN1 (0.35) EGLN1MAPTTAS1R3TAS1R1TSHR
SCHEMBL21850334 0.83 TAS1R3 (0.39) MAPTTAS1R3TAS1R1TSHRFAAH
SCHEMBL19937647 0.83 KMT2A (0.43) EGLN1MAPTTSHRKDM4ERAB9A
SCHEMBL964845 0.83 MAPT (0.43) MAPTTSHRFAAHCNR1CNR2
SCHEMBL22474263 0.81 ALDH1A1 (0.43) TSHRKDM4ENPC1MEN1KMT2A

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