SCHEMBL12696331

SCHEMBL12696331

C=C(N)COc1ccccc1

nearest known ligand 0.63

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 1/20 0.56
MAOB P27338 4/20 0.48
AOC3 Q16853 3/20 0.48
AOC2 O75106 2/20 0.48
MAOA P21397 2/20 0.48
DAO P14920 1/20 0.48
TAAR1 Q96RJ0 1/20 0.46
ALDH1A1 P00352 1/20 0.46
RECQL P46063 1/20 0.46
KCNA3 P22001 1/20 0.46
KMT2A Q03164 3/20 0.46
MEN1 O00255 2/20 0.46
PARP10 Q53GL7 1/20 0.46
ALPL P05186 1/20 0.44
ALPI P09923 1/20 0.44
ALPG P10696 1/20 0.44
GAA P10253 1/20 0.44
HPGD P15428 1/20 0.43

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
SCHEMBL9602194 0.81 ALOX15 (0.60) ALOX15MAOBAOC3AOC2MAOA
SCHEMBL7261032 0.81 ALOX15 (0.60) ALOX15MAOBAOC3AOC2MAOA
SCHEMBL5707676 0.81 ALOX15 (0.60) ALOX15MAOBAOC3AOC2MAOA
SCHEMBL27107740 0.81 ALOX15 (0.61) ALOX15ALDH1A1KMT2AMEN1
SCHEMBL11114121 0.79 ALOX15 (0.59) ALOX15MAOBAOC2MAOAALDH1A1
SCHEMBL2031455 0.79 ALOX15 (0.58) ALOX15MAOBAOC3AOC2MAOA
SCHEMBL13780482 0.78 PTPN7 (0.61) ALDH1A1RECQLKMT2AMEN1HPGD
SCHEMBL1221676 0.77 WDR5 (0.64) ALOX15MAOBAOC3AOC2MAOA
SCHEMBL159433 0.77 ALOX15 (0.56) ALOX15MAOBAOC3AOC2MAOA
SCHEMBL138162 0.77 ALOX15 (0.68) ALOX15ALDH1A1KMT2AMEN1PARP10

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-2012129564-A2 PROTEASOME CHYMOTRYPSIN-LIKE INHIBITION USING PI-1833 ANALOGS H. LEE MOFFITT CANCER CENTER AND RESEARCH INSTITUTE, INC. (US) 2012-09-27 WO disclosed