SCHEMBL29628825

SCHEMBL29628825

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

nearest known ligand 0.32

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
TAS1R3 Q7RTX0 1/20 0.32
TAS1R1 Q7RTX1 1/20 0.32
SCN9A Q15858 1/20 0.31

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
SCHEMBL20607078 1.00 TAS1R3 (0.32) TAS1R3TAS1R1SCN9A
SCHEMBL20607159 0.92 TAS1R3 (0.35) TAS1R3TAS1R1
SCHEMBL31329377 0.89 TAS1R3 (0.31) TAS1R3TAS1R1
SCHEMBL29628595 0.88 SCN9A (0.42) SCN9A
SCHEMBL20607121 0.88 SCN9A (0.42) SCN9A
SCHEMBL20607200 0.87 KDM4E (0.33) TAS1R3TAS1R1SCN9A
SCHEMBL29628562 0.87 KDM4E (0.33) TAS1R3TAS1R1SCN9A
SCHEMBL20607085 0.82 TAS1R3 (0.40) TAS1R3TAS1R1
SCHEMBL29628660 0.82 TAS1R3 (0.40) TAS1R3TAS1R1
SCHEMBL20607111 0.77 TUBB1 (0.39) TAS1R3TAS1R1

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