SCHEMBL9564707

SCHEMBL9564707

CC(C=O)CC1(C)CC1c1ccc(Cl)cc1

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 4/20 0.41
RCOR1 Q9UKL0 4/20 0.41
LIG1 P18858 1/20 0.41
MDM2 Q00987 8/20 0.35
TP53 P04637 7/20 0.35
ADAMTS5 Q9UNA0 1/20 0.34
MAPK1 P28482 2/20 0.33
ALDH1A1 P00352 2/20 0.33
MEN1 O00255 1/20 0.33
MAPT P10636 1/20 0.33
HPGD P15428 1/20 0.33
KMT2A Q03164 1/20 0.33
ATM Q13315 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
MAP1LC3B Q9GZQ8 1/20 0.33
ELANE P08246 1/20 0.33
KDM4E B2RXH2 1/20 0.32

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
SCHEMBL9515155 0.73 KDM1A (0.49) KDM1ARCOR1LIG1MAPK1ALDH1A1
SCHEMBL9515156 0.73 KDM1A (0.49) KDM1ARCOR1LIG1MAPK1ALDH1A1
SCHEMBL25254102 0.68 TP53 (0.50) KDM1ATP53MEN1KMT2A
SCHEMBL25213373 0.68 TP53 (0.50) KDM1ATP53MEN1KMT2A
SCHEMBL25575698 0.68 TP53 (0.50) KDM1ATP53MEN1KMT2A
SCHEMBL4339855 0.67 KDM1A (0.53) KDM1ARCOR1LIG1MAPK1MEN1
SCHEMBL9128583 0.65 MAPK1 (0.41) KDM1ARCOR1LIG1MDM2TP53
Bicarbonate SCHEMBL10971534 0.64 MAPK1 (0.50) KDM1ARCOR1LIG1ADAMTS5MAPK1
SCHEMBL10750020 0.64 LIG1 (0.46) KDM1ARCOR1LIG1MAPK1ALDH1A1
SCHEMBL26210601 0.63 TP53 (0.61) TP53MEN1KMT2A

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
EP-0565463-A1 Triazol and imidazol-derivatives as fungicides RHONE-POULENC AGROCHIMIE (FR) 1993-10-13 EP disclosed