SCHEMBL8336809

SCHEMBL8336809

COc1ccc(-c2cc(OC)cc(C)c2C(=O)c2csc3ccccc23)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 4/20 0.47
CNR1 P21554 2/20 0.47
MAPT P10636 4/20 0.47
HPGD P15428 2/20 0.44
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
KDM4E B2RXH2 1/20 0.44
CYP1A2 P05177 1/20 0.44
CYP2D6 P10635 1/20 0.44
CYP2C19 P33261 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
MAOB P27338 2/20 0.43
L3MBTL1 Q9Y468 2/20 0.42
ATM Q13315 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
ALDH1A1 P00352 2/20 0.39
NPC1 O15118 1/20 0.39
TP53 P04637 1/20 0.39
ALOX15 P16050 1/20 0.39
TSHR P16473 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
SCHEMBL8336291 0.94 MAPT (0.43) CNR2CNR1MAPTHPGDMEN1
SCHEMBL8334430 0.93 CNR2 (0.41) CNR2CNR1MAPTHPGDMEN1
SCHEMBL8336438 0.91 CNR2 (0.46) CNR2CNR1MAPTHPGDMEN1
SCHEMBL8337435 0.89 MAPT (0.46) CNR2CNR1MAPTHPGDMEN1
SCHEMBL8340639 0.89 CNR2 (0.41) CNR2CNR1MAPTHPGDMEN1
SCHEMBL8335085 0.89 MAPT (0.44) CNR2CNR1MAPTHPGDMEN1
SCHEMBL8634790 0.89 MAPT (0.48) CNR2CNR1MAPTHPGDMEN1
SCHEMBL8336035 0.88 CNR2 (0.41) CNR2CNR1MAPTHPGDMEN1
SCHEMBL8336383 0.88 CNR2 (0.40) CNR2CNR1MAPTHPGDMEN1
SCHEMBL8340660 0.86 MAPT (0.45) CNR2CNR1MAPTHPGDMEN1

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
US-5948796-A OSTEOPOROSIS, CANCER, CARDIOVASCULAR DISORDERS ELI LILLY AND COMPANY (US) 1999-09-07 US disclosed