SCHEMBL22333372

SCHEMBL22333372

CCC(C)CC(=O)N1CCCCCCCCC1

nearest known ligand 0.48

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.48
KMT2A Q03164 4/20 0.48
L3MBTL1 Q9Y468 3/20 0.48
TDP1 Q9NUW8 1/20 0.48
POLB P06746 2/20 0.44
NPSR1 Q6W5P4 1/20 0.44
ATM Q13315 1/20 0.43
GAA P10253 1/20 0.41
HTT P42858 1/20 0.40
ALDH1A1 P00352 2/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
BCHE P06276 1/20 0.39
ACHE P22303 1/20 0.39

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
SCHEMBL24503889 1.00 MEN1 (0.48) MEN1KMT2AL3MBTL1TDP1POLB
SCHEMBL12446354 1.00 MEN1 (0.48) MEN1KMT2AL3MBTL1TDP1POLB
SCHEMBL10082173 0.98 L3MBTL1 (0.47) MEN1KMT2AL3MBTL1TDP1POLB
SCHEMBL14300014 0.98 L3MBTL1 (0.47) MEN1KMT2AL3MBTL1TDP1POLB
SCHEMBL8488655 0.86 MEN1 (0.46) MEN1KMT2AL3MBTL1TDP1POLB
SCHEMBL8488653 0.84 L3MBTL1 (0.44) MEN1KMT2AL3MBTL1TDP1POLB
SCHEMBL8485259 0.83 ATM (0.46) MEN1KMT2AL3MBTL1TDP1POLB
SCHEMBL19956481 0.82 HTR1A (0.48) L3MBTL1TDP1POLBNPSR1ALDH1A1
SCHEMBL21651963 0.82 L3MBTL1 (0.48) MEN1KMT2AL3MBTL1TDP1POLB
SCHEMBL10936610 0.82 PKM (0.47) MEN1KMT2AL3MBTL1TDP1POLB

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-3526198-B1 3-SULFONYL-5-AMINOPYRIDINE-2,4-DIOL APJ AGONISTS BRISTOL MYERS SQUIBB CO (US) 2020-08-12 EP disclosed