SCHEMBL9569041

SCHEMBL9569041

CON=C(C(=O)OC)c1ccccc1C(=CCN1CCOCC1)ON

nearest known ligand 0.41

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.39
HIF1A Q16665 5/20 0.38
KDM4E B2RXH2 3/20 0.38
TSHR P16473 1/20 0.38
KEAP1 Q14145 1/20 0.38
NFE2L2 Q16236 1/20 0.38
TDP1 Q9NUW8 1/20 0.36
ABCB1 P08183 1/20 0.36
NPSR1 Q6W5P4 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
SCHEMBL13331431 0.77 HIF1A (0.50) HIF1A
SCHEMBL3313809 0.77 HIF1A (0.50) HIF1A
SCHEMBL7036504 0.70 HIF1A (0.38) HIF1A
SCHEMBL6156582 0.68 HIF1A (0.64) HIF1A
SCHEMBL7620534 0.68 HIF1A (0.64) HIF1A
SCHEMBL30186031 0.68 HIF1A (0.64) HIF1A
SCHEMBL8617535 0.66 HIF1A (0.52) ALDH1A1HIF1AKDM4E
SCHEMBL9407297 0.66 HIF1A (0.43) ALDH1A1HIF1AKDM4ETSHRNPSR1
SCHEMBL9407302 0.66 HIF1A (0.43) ALDH1A1HIF1AKDM4ETSHRNPSR1
SCHEMBL8613161 0.65 HIF1A (0.50) ALDH1A1HIF1AKDM4ETSHR

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-5294948-A None JP disclosed
JP-H05294948-A N-@(3754/24)SUBSTITUTED BENZYLOXY)IMINE DERIVATIVE, ITS PRODUCTION AND AGRICULTURAL AND HORTICULTURAL GERMICIDE NIPPON NOHYAKU CO LTD 1993-11-09 JP disclosed