SCHEMBL29628595

SCHEMBL29628595

COC(=O)CC(C)C(=O)c1cc(F)c(OCC2(O)CC2)c(Cl)c1

nearest known ligand 0.42

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 4/20 0.42
KDM4E B2RXH2 2/20 0.32
ALDH1A1 P00352 1/20 0.32
GAA P10253 1/20 0.32
TSHR P16473 1/20 0.31
P2RX7 Q99572 2/20 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
SCHEMBL20607121 1.00 SCN9A (0.42) SCN9AKDM4EALDH1A1GAATSHR
SCHEMBL20607200 0.88 KDM4E (0.33) SCN9AKDM4EALDH1A1GAA
SCHEMBL29628562 0.88 KDM4E (0.33) SCN9AKDM4EALDH1A1GAA
SCHEMBL20607078 0.88 TAS1R3 (0.32) SCN9A
SCHEMBL29628825 0.88 TAS1R3 (0.32) SCN9A
SCHEMBL23456417 0.86 SCN9A (0.43) SCN9AKDM4EALDH1A1GAA
SCHEMBL20607391 0.83 ALDH1A1 (0.44) SCN9AKDM4EALDH1A1GAATSHR
SCHEMBL29628750 0.83 ALDH1A1 (0.44) SCN9AKDM4EALDH1A1GAATSHR
SCHEMBL20607159 0.82 TAS1R3 (0.35) ALDH1A1
SCHEMBL31329373 0.77 KDM4E (0.36) SCN9AKDM4EALDH1A1

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
CN-108779076-B 5-methyl-6-phenyl-4, 5-dihydro-2H-pyridazin-3-one derivatives 大塚制药株式会社 2022-05-03 CN disclosed