SCHEMBL8336079

SCHEMBL8336079

CNC(=O)/C(=N\OC)c1ccccc1COc1ncc(C(=O)OC(C)(C)C)cc1C

nearest known ligand 0.46

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HIF1A Q16665 8/20 0.44
GABRA5 P31644 3/20 0.34
SCN9A Q15858 1/20 0.34
SGMS2 Q8NHU3 1/20 0.32
MAPT P10636 1/20 0.32
CTSA P10619 1/20 0.31
AAK1 Q2M2I8 1/20 0.31
RXRA P19793 1/20 0.30
NR1H2 P55055 1/20 0.30
NR1H3 Q13133 1/20 0.30
MET P08581 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
SCHEMBL8336087 1.00 HIF1A (0.44) HIF1AGABRA5SCN9ASGMS2MAPT
SCHEMBL8338517 0.88 HIF1A (0.42) HIF1AGABRA5SCN9ASGMS2MAPT
SCHEMBL8338515 0.88 HIF1A (0.42) HIF1AGABRA5SCN9ASGMS2MAPT
SCHEMBL7685375 0.83 HIF1A (0.52) HIF1ASCN9A
SCHEMBL7685378 0.83 HIF1A (0.52) HIF1ASCN9A
SCHEMBL8341964 0.83 HIF1A (0.46) HIF1ASGMS2MAPTAAK1
SCHEMBL8341966 0.83 HIF1A (0.46) HIF1ASGMS2MAPTAAK1
SCHEMBL8337628 0.81 HIF1A (0.45) HIF1AGABRA5SCN9A
SCHEMBL8337626 0.81 HIF1A (0.45) HIF1AGABRA5SCN9A
SCHEMBL8335938 0.79 HIF1A (0.33) HIF1AGABRA5SCN9ASGMS2

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
US-5968875-A FUNGICIDES FOR PLANTS DOW AGROSCIENCES LLC (US) 1999-10-19 US disclosed