SCHEMBL8337435

SCHEMBL8337435

COc1cc(C)c(C(=O)c2csc3ccccc23)c(-c2ccc(OC)c(OC)c2)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.46
HPGD P15428 3/20 0.46
KDM4E B2RXH2 3/20 0.46
CYP2C19 P33261 2/20 0.46
KMT2A Q03164 2/20 0.46
MEN1 O00255 1/20 0.46
CYP1A2 P05177 1/20 0.46
CYP2D6 P10635 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
CNR2 P34972 3/20 0.42
CNR1 P21554 2/20 0.42
PIN1 Q13526 1/20 0.42
ALDH1A1 P00352 3/20 0.41
TUBB4A P04350 1/20 0.41
TUBB P07437 1/20 0.41
TUBA3C P0DPH7 1/20 0.41
TUBA1B P68363 1/20 0.41
TUBA4A P68366 1/20 0.41
TUBB4B P68371 1/20 0.41
TUBB3 Q13509 1/20 0.41

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 0.89 CNR2 (0.47) MAPTHPGDKDM4ECYP2C19KMT2A
SCHEMBL8336090 0.89 MAPT (0.39) MAPTHPGDKDM4ECYP2C19KMT2A
SCHEMBL8336291 0.88 MAPT (0.43) MAPTHPGDKDM4ECYP2C19KMT2A
SCHEMBL8335085 0.88 MAPT (0.44) MAPTHPGDKDM4ECYP2C19KMT2A
SCHEMBL8334430 0.87 CNR2 (0.41) MAPTHPGDKDM4ECYP2C19KMT2A
SCHEMBL8340660 0.86 MAPT (0.45) MAPTHPGDKDM4ECYP2C19KMT2A
SCHEMBL8634790 0.83 MAPT (0.48) MAPTHPGDKDM4ECYP2C19KMT2A
SCHEMBL8336438 0.81 CNR2 (0.46) MAPTHPGDKDM4ECYP2C19KMT2A
SCHEMBL8340220 0.81 PRKCZ (0.41) MAPTHPGDKDM4ECYP2C19KMT2A
SCHEMBL8340639 0.80 CNR2 (0.41) MAPTHPGDKDM4ECYP2C19KMT2A

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