SCHEMBL20613631

SCHEMBL20613631

CC(C)(CO)CC(=O)NCCNC=O

nearest known ligand 0.34

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ADH1B P00325 3/20 0.34
ADH1A P07327 3/20 0.34
ADH7 P40394 3/20 0.34
LMNA P02545 1/20 0.33
ADH1C P00326 2/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
EPHX1 P07099 1/20 0.31
ADH4 P08319 1/20 0.31
NAAA Q02083 1/20 0.30

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
SCHEMBL20613635 0.79 NAAA (0.32) MEN1KMT2ANAAA
SCHEMBL20613663 0.79 MEN1 (0.50) MEN1KMT2ANAAA
SCHEMBL22197963 0.79 LMNA (0.30) LMNA
SCHEMBL22236865 0.79 CNR1 (0.37) LMNAMEN1KMT2ANAAA
SCHEMBL20613710 0.77 MCL1 (0.44) LMNAMEN1KMT2AEPHX1NAAA
SCHEMBL20613667 0.76 CASP2 (0.48) KMT2ANAAA
SCHEMBL19827537 0.76 PTGS1 (0.49) MEN1KMT2ANAAA
SCHEMBL17718098 0.74 ECE1 (0.47) KMT2A
SCHEMBL20613639 0.74 NAAA (0.47) MEN1KMT2ANAAA
SCHEMBL22336844 0.73 ALDH1A1 (0.37) ADH1BADH1AADH7LMNAADH1C

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-3215496-B1 PANTOTHENAMIDE ANALOGUES RADBOUD UNIV MEDISCH CENTRUM (NL) 2019-01-02 EP disclosed