SCHEMBL29628562

SCHEMBL29628562

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

nearest known ligand 0.33

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.33
ALDH1A1 P00352 3/20 0.33
SCN9A Q15858 2/20 0.33
GAA P10253 1/20 0.33
TAS1R3 Q7RTX0 3/20 0.32
TAS1R1 Q7RTX1 3/20 0.32
TDP1 Q9NUW8 1/20 0.31
KMT2A Q03164 1/20 0.31
PLAU P00749 1/20 0.31
MRGPRX4 Q96LA9 1/20 0.31
TAS1R2 Q8TE23 2/20 0.31
LMNA P02545 1/20 0.30
HSD11B1 P28845 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
SCHEMBL20607200 1.00 KDM4E (0.33) KDM4EALDH1A1SCN9AGAATAS1R3
SCHEMBL20607159 0.92 TAS1R3 (0.35) ALDH1A1TAS1R3TAS1R1KMT2APLAU
SCHEMBL31329373 0.89 KDM4E (0.36) KDM4EALDH1A1SCN9ATAS1R3TAS1R1
SCHEMBL20607121 0.88 SCN9A (0.42) KDM4EALDH1A1SCN9AGAA
SCHEMBL29628595 0.88 SCN9A (0.42) KDM4EALDH1A1SCN9AGAA
SCHEMBL29628825 0.87 TAS1R3 (0.32) SCN9ATAS1R3TAS1R1
SCHEMBL20607078 0.87 TAS1R3 (0.32) SCN9ATAS1R3TAS1R1
SCHEMBL20607286 0.76 CHRNA1 (0.35) KDM4EALDH1A1GAATAS1R3TAS1R1
SCHEMBL31329377 0.76 TAS1R3 (0.31) TAS1R3TAS1R1
SCHEMBL29628793 0.76 CHRNA1 (0.35) KDM4EALDH1A1GAATAS1R3TAS1R1

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