SCHEMBL8065203

SCHEMBL8065203

CC(C)CCOc1ccc(Cl)c2c(=O)c3ccccc3sc12

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.42
MAPT P10636 3/20 0.41
NPC1 O15118 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2C9 P11712 1/20 0.41
HPGD P15428 1/20 0.41
CYP2C19 P33261 1/20 0.41
RAB9A P51151 1/20 0.41
CYP19A1 P11511 1/20 0.38
CYP11B1 P15538 1/20 0.38
CYP11B2 P19099 1/20 0.38
HTT P42858 1/20 0.37
KDM4E B2RXH2 4/20 0.36
NPSR1 Q6W5P4 2/20 0.36
GAA P10253 1/20 0.36
MAOA P21397 1/20 0.35
MAOB P27338 1/20 0.35
MEN1 O00255 1/20 0.35
TSHR P16473 1/20 0.35

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
SCHEMBL26022905 0.88 MAPT (0.42) POLBMAPTNPC1CYP1A2CYP3A4
SCHEMBL29428465 0.87 MAPT (0.43) POLBMAPTNPC1CYP1A2CYP3A4
SCHEMBL29353913 0.87 MAPT (0.43) POLBMAPTNPC1CYP1A2CYP3A4
SCHEMBL108341 0.87 MAPT (0.43) POLBMAPTNPC1CYP1A2CYP3A4
SCHEMBL28557156 0.86 MAPT (0.42) MAPTNPC1CYP1A2CYP3A4CYP2C9
SCHEMBL4542129 0.85 MAPT (0.41) POLBMAPTNPC1CYP1A2CYP3A4
SCHEMBL13066138 0.84 MAPT (0.40) POLBMAPTNPC1CYP1A2CYP3A4
SCHEMBL15392144 0.84 MAPT (0.40) POLBMAPTNPC1CYP1A2CYP3A4
SCHEMBL14556883 0.84 MAPT (0.45) POLBMAPTNPC1CYP1A2CYP3A4
SCHEMBL1615173 0.84 CYP2C9 (0.41) MAPTNPC1CYP1A2CYP3A4CYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0520574-B1 Thioxanthone derivatives LAMBSON FINE CHEMICALS LIMITED (GB) 2000-08-16 EP disclosed
US-5414092-A Photoinitiators INTERNATIONAL BIO-SYNTHETICS LIMITED (GB) 1995-05-09 US disclosed
EP-0520574-A1 Thioxanthone derivatives GREAT LAKES FINE CHEMICALS LIMITED (GB) 1992-12-30 EP disclosed