SCHEMBL29628654

SCHEMBL29628654

COC(=O)CC(C)C(=O)c1ccc(OC)c(Cl)c1OC

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PDE4D Q08499 3/20 0.42
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
TNF P01375 2/20 0.38
ALDH1A1 P00352 3/20 0.38
MAPT P10636 3/20 0.37
TDP1 Q9NUW8 1/20 0.37
TUBB1 Q9H4B7 1/20 0.36
LMNA P02545 2/20 0.36
KDM4E B2RXH2 1/20 0.35
GAA P10253 1/20 0.35
HPGD P15428 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
SCHEMBL20607275 1.00 PDE4D (0.42) PDE4DMEN1KMT2ANPC1RAB9A
SCHEMBL29628757 0.85 PDE4D (0.40) PDE4DMEN1KMT2ANPC1RAB9A
SCHEMBL20607103 0.85 PDE4D (0.40) PDE4DMEN1KMT2ANPC1RAB9A
SCHEMBL20607171 0.85 HTT (0.44) PDE4DMEN1KMT2ATNFALDH1A1
SCHEMBL29628740 0.85 HTT (0.44) PDE4DMEN1KMT2ATNFALDH1A1
SCHEMBL23456412 0.77 ALDH1A1 (0.40) PDE4DMEN1KMT2ATNFALDH1A1
SCHEMBL20607466 0.76 PDE4A (0.40) PDE4DTNFALDH1A1MAPTLMNA
SCHEMBL29628796 0.76 PDE4A (0.40) PDE4DTNFALDH1A1MAPTLMNA
SCHEMBL20607092 0.75 CLCN2 (0.41) PDE4DALDH1A1MAPTTDP1KDM4E
SCHEMBL29628651 0.75 CLCN2 (0.41) PDE4DALDH1A1MAPTTDP1KDM4E

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