SCHEMBL29628771

SCHEMBL29628771

COC(=O)C(c1ccccc1)C(C)C=O

nearest known ligand 0.75

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.75
PTGS1 P23219 1/20 0.47
PTGS2 P35354 1/20 0.47
CYP2D6 P10635 1/20 0.47
MEN1 O00255 2/20 0.44
ALDH1A1 P00352 1/20 0.44
LMNA P02545 1/20 0.44
KCNA5 P22460 3/20 0.44
L3MBTL1 Q9Y468 2/20 0.41
HCAR2 Q8TDS4 1/20 0.41
TSHR P16473 1/20 0.41
MAPT P10636 1/20 0.41
KLK7 P49862 1/20 0.41

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
SCHEMBL1578725 0.85 KMT2A (0.81) KMT2APTGS1PTGS2CYP2D6MEN1
SCHEMBL5514748 0.85 KMT2A (0.81) KMT2APTGS1PTGS2CYP2D6MEN1
SCHEMBL5522307 0.85 KMT2A (0.81) KMT2APTGS1PTGS2CYP2D6MEN1
SCHEMBL28732213 0.83 KMT2A (0.78) KMT2APTGS1PTGS2CYP2D6MEN1
SCHEMBL12924859 0.83 KMT2A (0.78) KMT2APTGS1PTGS2CYP2D6MEN1
SCHEMBL12924861 0.83 KMT2A (0.78) KMT2APTGS1PTGS2CYP2D6MEN1
SCHEMBL7112198 0.81 KMT2A (0.75) KMT2APTGS1PTGS2CYP2D6MEN1
SCHEMBL6752967 0.81 KMT2A (0.81) KMT2APTGS1PTGS2CYP2D6MEN1
SCHEMBL29628639 0.80 CYP2D6 (0.67) KMT2APTGS1PTGS2CYP2D6ALDH1A1
SCHEMBL16093543 0.80 KMT2A (0.72) KMT2APTGS1PTGS2CYP2D6MEN1

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