SCHEMBL28304752

SCHEMBL28304752

O=C(c1cc[c]cc1)c1ccc(Sc2ccccc2)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 3/20 0.56
ALDH1A1 P00352 2/20 0.56
SRD5A2 P31213 3/20 0.45
L3MBTL1 Q9Y468 2/20 0.44
LMNA P02545 2/20 0.44
MAOA P21397 2/20 0.41
MAOB P27338 2/20 0.41
ATM Q13315 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
RAB9A P51151 3/20 0.40
MEN1 O00255 3/20 0.40
KMT2A Q03164 3/20 0.40
MAPT P10636 1/20 0.40
MAPK13 O15264 1/20 0.40
MAPK12 P53778 1/20 0.40
MAPK11 Q15759 1/20 0.40
MAPK14 Q16539 1/20 0.40
NPC1 O15118 2/20 0.39
EZH2 Q15910 1/20 0.38
ELANE P08246 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
SCHEMBL3286371 0.93 ALDH1A1 (0.52) HPGDALDH1A1SRD5A2L3MBTL1LMNA
SCHEMBL3282737 0.88 HPGD (0.69) HPGDALDH1A1SRD5A2L3MBTL1LMNA
SCHEMBL385623 0.86 ALDH1A1 (0.67) HPGDALDH1A1SRD5A2L3MBTL1LMNA
SCHEMBL21506865 0.86 ALDH1A1 (0.67) HPGDALDH1A1SRD5A2L3MBTL1LMNA
SCHEMBL6787662 0.84 ALDH1A1 (0.67) HPGDALDH1A1SRD5A2L3MBTL1LMNA
SCHEMBL17828242 0.84 ALDH1A1 (0.67) HPGDALDH1A1SRD5A2L3MBTL1LMNA
SCHEMBL17828245 0.84 ALDH1A1 (0.67) HPGDALDH1A1SRD5A2L3MBTL1LMNA
Benzophenone SCHEMBL8749969 0.82 ALDH1A1 (0.70) HPGDALDH1A1SRD5A2L3MBTL1LMNA
SCHEMBL144448 0.82 ALDH1A1 (0.70) HPGDALDH1A1SRD5A2L3MBTL1LMNA
SCHEMBL14600281 0.81 LMNA (0.62) HPGDALDH1A1SRD5A2L3MBTL1LMNA

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
CN-109843853-A The manufacturing method of composition and the equipment using the composition 东洋合成工业株式会社 2019-06-04 CN disclosed