SCHEMBL8334430

SCHEMBL8334430

COc1cc(C)c(C(=O)c2csc3ccccc23)c(-c2ccc(Cl)cc2)c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 3/20 0.41
CNR1 P21554 2/20 0.41
MAPT P10636 3/20 0.40
HTR1A P08908 2/20 0.40
KDM4E B2RXH2 1/20 0.40
MEN1 O00255 1/20 0.40
CYP1A2 P05177 1/20 0.40
CYP2D6 P10635 1/20 0.40
HPGD P15428 1/20 0.40
CYP2C19 P33261 1/20 0.40
KMT2A Q03164 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
ANO1 Q5XXA6 1/20 0.39
PTGS2 P35354 1/20 0.38
SLC6A4 P31645 1/20 0.38
SLC6A3 Q01959 1/20 0.38
TP53 P04637 1/20 0.37
THRB P10828 1/20 0.37
C5AR1 P21730 1/20 0.37
TUBB4A P04350 1/20 0.37

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
SCHEMBL8336809 0.93 CNR2 (0.47) CNR2CNR1MAPTKDM4EMEN1
SCHEMBL8336291 0.91 MAPT (0.43) CNR2CNR1MAPTKDM4EMEN1
SCHEMBL8337435 0.87 MAPT (0.46) CNR2CNR1MAPTKDM4EMEN1
SCHEMBL8335888 0.86 C5AR1 (0.38) CNR2HTR1AC5AR1ALDH1A1PIK3CA
SCHEMBL8335085 0.86 MAPT (0.44) CNR2CNR1MAPTKDM4EMEN1
SCHEMBL8336438 0.84 CNR2 (0.46) CNR2CNR1MAPTKDM4EMEN1
SCHEMBL8340660 0.83 MAPT (0.45) CNR2CNR1MAPTHTR1AKDM4E
SCHEMBL8340639 0.82 CNR2 (0.41) CNR2CNR1MAPTKDM4EMEN1
SCHEMBL8634790 0.82 MAPT (0.48) CNR2CNR1MAPTHTR1AKDM4E
SCHEMBL8336035 0.82 CNR2 (0.41) CNR2CNR1MAPTKDM4EMEN1

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