SCHEMBL29628815

SCHEMBL29628815

COC(=O)CC(C)C(=O)c1ccc(OC)c(Br)c1F

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 3/20 0.40
PDE4B Q07343 3/20 0.40
PDE4C Q08493 3/20 0.40
PDE4D Q08499 3/20 0.40
GRM2 Q14416 1/20 0.35
HPGD P15428 1/20 0.34
TNF P01375 3/20 0.34
LMNA P02545 1/20 0.34
RXFP1 Q9HBX9 1/20 0.34
ALDH1A1 P00352 2/20 0.33
MAPT P10636 2/20 0.33
HPGDS O60760 1/20 0.33
CYP1A2 P05177 1/20 0.33
ALOX12 P18054 1/20 0.33
CYP2C19 P33261 1/20 0.33
TP53 P04637 1/20 0.33
HTT P42858 1/20 0.33
KDM4E B2RXH2 1/20 0.33

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
SCHEMBL20607313 1.00 PDE4A (0.40) PDE4APDE4BPDE4CPDE4DGRM2
SCHEMBL20607335 0.88 FFAR1 (0.36) GRM2LMNAMAPTHPGDSHTT
SCHEMBL20607466 0.85 PDE4A (0.40) PDE4APDE4BPDE4CPDE4DGRM2
SCHEMBL29628796 0.85 PDE4A (0.40) PDE4APDE4BPDE4CPDE4DGRM2
SCHEMBL20607103 0.84 PDE4D (0.40) PDE4APDE4BPDE4CPDE4DHPGD
SCHEMBL29628757 0.84 PDE4D (0.40) PDE4APDE4BPDE4CPDE4DHPGD
SCHEMBL23680308 0.82 KMT2A (0.34) GRM2HPGDLMNARXFP1ALDH1A1
SCHEMBL20607171 0.76 HTT (0.44) PDE4APDE4BPDE4CPDE4DHPGD
SCHEMBL29628740 0.76 HTT (0.44) PDE4APDE4BPDE4CPDE4DHPGD
SCHEMBL20607275 0.75 PDE4D (0.42) PDE4DHPGDTNFLMNAALDH1A1

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