SCHEMBL17166392

SCHEMBL17166392

CC(C)(C)OC(=O)C1CN(Cc2ccccc2)CN1

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
S1PR5 Q9H228 2/20 0.41
ALDH1A1 P00352 1/20 0.41
LMNA P02545 1/20 0.41
S1PR1 P21453 1/20 0.41
FUCA1 P04066 2/20 0.39
NPFFR1 Q9GZQ6 1/20 0.39
NPFFR2 Q9Y5X5 1/20 0.39
TP53 P04637 2/20 0.39
THRB P10828 1/20 0.39
MAPT P10636 1/20 0.39
JAK2 O60674 1/20 0.39
JAK1 P23458 1/20 0.39
GPR119 Q8TDV5 1/20 0.39
STS P08842 1/20 0.38

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
SCHEMBL2342290 0.88 KMT2A (0.45) KMT2AL3MBTL1ALDH1A1LMNANPFFR1
SCHEMBL203039 0.85 MEN1 (0.46) KMT2AS1PR5ALDH1A1S1PR1FUCA1
SCHEMBL2706345 0.85 MEN1 (0.46) KMT2AS1PR5ALDH1A1S1PR1FUCA1
SCHEMBL23464746 0.85 MEN1 (0.46) KMT2AS1PR5ALDH1A1S1PR1FUCA1
SCHEMBL23415558 0.81 S1PR5 (0.53) L3MBTL1S1PR5ALDH1A1S1PR1FUCA1
SCHEMBL17166396 0.81 S1PR5 (0.53) L3MBTL1S1PR5ALDH1A1S1PR1FUCA1
SCHEMBL25173575 0.80 S1PR5 (0.56) KMT2AL3MBTL1S1PR5ALDH1A1LMNA
SCHEMBL11197364 0.77 MMP13 (0.53) KMT2AL3MBTL1ALDH1A1
SCHEMBL28943257 0.75 SCN4A (0.55) KMT2AL3MBTL1S1PR5ALDH1A1
SCHEMBL17166394 0.75 KMT2A (0.41) KMT2AL3MBTL1ALDH1A1MAPTJAK2

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
US-9156858-B2 Boronic acid derivatives and therapeutic uses thereof REMPEX PHARMACEUTICALS, INC. (US) 2015-10-13 US disclosed