SCHEMBL24413554

SCHEMBL24413554

CCOC(=O)C1CC(=O)C(C(=O)CC)=C(O)C1

nearest known ligand 0.56

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.49
KDM4E B2RXH2 2/20 0.49
KMT2A Q03164 2/20 0.49
BUB1 O43683 1/20 0.40
MAPT P10636 4/20 0.37
HPGD P15428 2/20 0.37
MEN1 O00255 1/20 0.37
GAA P10253 1/20 0.37
HSD17B10 Q99714 1/20 0.37
CYP11B2 P19099 1/20 0.35
MAP1LC3B Q9GZQ8 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34

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
SCHEMBL7713810 0.88 ALDH1A1 (0.47) ALDH1A1KDM4EKMT2ABUB1MAPT
SCHEMBL10001994 0.87 ALDH1A1 (0.48) ALDH1A1KDM4EKMT2ABUB1MAPT
SCHEMBL24413557 0.86 BUB1 (0.53) ALDH1A1KDM4EKMT2ABUB1GAA
SCHEMBL10337538 0.78 BUB1 (0.49) ALDH1A1KDM4EKMT2ABUB1MAPT
SCHEMBL4284354 0.78 ALDH1A1 (0.46) ALDH1A1KDM4EKMT2ABUB1MAPT
SCHEMBL4281310 0.76 KDM4E (0.44) ALDH1A1KDM4EKMT2ABUB1MEN1
SCHEMBL4292313 0.74 ALDH1A1 (0.43) ALDH1A1KDM4EKMT2ABUB1MAPT
SCHEMBL4236290 0.74 ALDH1A1 (0.47) ALDH1A1KDM4EKMT2ABUB1MAPT
SCHEMBL4289348 0.73 POLB (0.46) ALDH1A1KDM4EKMT2ABUB1HPGD
SCHEMBL871448 0.73 ALDH1A1 (0.50) ALDH1A1KDM4EKMT2AMAPTHPGD

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
WO-2022097115-A1 AN IMPROVED PROCESS FOR PREPARATION OF PROHEXADIONE AND ITS CALCIUM SALT HIKAL LIMITED (IN) 2022-05-12 WO disclosed