SCHEMBL28801573

SCHEMBL28801573

CC(C)CCOc1ccc(C=O)cc1Br

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FDPS P14324 1/20 0.50
XDH P47989 1/20 0.44
ALDH1A1 P00352 11/20 0.43
LMNA P02545 2/20 0.43
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
MAPT P10636 7/20 0.43
SMN1; SMN2 Q16637 4/20 0.43
HTT P42858 4/20 0.43
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43
ALDH1A3 P47895 2/20 0.42
NPSR1 Q6W5P4 2/20 0.42
TSHR P16473 1/20 0.41
THRA P10827 2/20 0.40
THRB P10828 2/20 0.40
ALDH3A1 P30838 1/20 0.40
HPGD P15428 4/20 0.39
L3MBTL1 Q9Y468 2/20 0.39
TDP1 Q9NUW8 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
SCHEMBL4290266 0.86 FDPS (0.63) FDPSALDH1A1LMNAMAPTSMN1; SMN2
SCHEMBL30834676 0.86 FDPS (0.63) FDPSALDH1A1LMNAMAPTSMN1; SMN2
SCHEMBL3718546 0.84 FDPS (0.45) FDPSXDHALDH1A1LMNAMEN1
SCHEMBL5451418 0.83 FDPS (0.51) FDPSALDH1A1LMNAMEN1KMT2A
SCHEMBL177168 0.83 FDPS (0.54) FDPSALDH1A1LMNAMEN1KMT2A
SCHEMBL13220903 0.82 FDPS (0.77) FDPSALDH1A1LMNAMAPTSMN1; SMN2
SCHEMBL30270469 0.82 ALDH1A1 (0.50) FDPSALDH1A1LMNAMEN1KMT2A
SCHEMBL4278039 0.82 ALDH1A1 (0.57) FDPSALDH1A1LMNAMAPTSMN1; SMN2
SCHEMBL26213507 0.82 ALDH1A1 (0.50) FDPSALDH1A1LMNAMEN1KMT2A
SCHEMBL8024512 0.81 FDPS (0.53) FDPSALDH1A1LMNAMEN1KMT2A

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-102766099-B There is compound and salt, preparation method and the purposes of xanthine oxidase inhibitory activity SHENYANG PHARMACEUTICAL UNIVERSITY (CN) 2015-09-23 CN disclosed
CN-102766099-A Compound with xanthine oxidase inhibitory activity as well as salt, preparation methods and application thereof UNIV SHENYANG PHARMACEUTICAL 2012-11-07 CN disclosed