SCHEMBL15076017

SCHEMBL15076017

C[C@@H](CC(=O)c1ccccc1)c1cccc(Cl)c1

nearest known ligand 0.69

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.69
KMT2A Q03164 2/20 0.69
ALDH1A1 P00352 1/20 0.57
HPGD P15428 1/20 0.57
GPR139 Q6DWJ6 2/20 0.49
ATM Q13315 2/20 0.49
TRPM8 Q7Z2W7 1/20 0.49
ACP3 P15309 1/20 0.45
ERCC5 P28715 1/20 0.45
FEN1 P39748 1/20 0.45
NPSR1 Q6W5P4 1/20 0.45
TSHR P16473 1/20 0.45
PDPK1 O15530 1/20 0.45

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
SCHEMBL15076015 1.00 MEN1 (0.69) MEN1KMT2AALDH1A1HPGDGPR139
SCHEMBL15076019 1.00 MEN1 (0.69) MEN1KMT2AALDH1A1HPGDGPR139
SCHEMBL20535150 0.84 ALDH1A1 (0.58) MEN1KMT2AALDH1A1HPGDGPR139
SCHEMBL5929946 0.84 TSHR (0.57) MEN1KMT2AALDH1A1HPGDATM
SCHEMBL15075994 0.83 POLB (0.59) MEN1KMT2AALDH1A1HPGDTSHR
SCHEMBL15075993 0.83 POLB (0.59) MEN1KMT2AALDH1A1HPGDTSHR
SCHEMBL15076001 0.83 POLB (0.59) MEN1KMT2AALDH1A1HPGDTSHR
SCHEMBL28615060 0.83 POLB (0.59) MEN1KMT2AALDH1A1HPGDGPR139
SCHEMBL10033935 0.82 MEN1 (0.70) MEN1KMT2AALDH1A1HPGDACP3
SCHEMBL12158734 0.82 MEN1 (0.66) MEN1KMT2AALDH1A1HPGDGPR139

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-2013092979-A1 ALPHA-AMINO BORONIC ACID DERIVATIVES, SELECTIVE IMMUNOPROTEASOME INHIBITORS ARES TRADING S.A. (CH) 2013-06-27 WO disclosed