SCHEMBL8340660

SCHEMBL8340660

COc1cc(C)c(C(=O)c2csc3ccccc23)c(-c2ccccc2OC)c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.45
NPSR1 Q6W5P4 2/20 0.45
KDM4E B2RXH2 1/20 0.45
MEN1 O00255 1/20 0.45
CYP1A2 P05177 1/20 0.45
CYP2D6 P10635 1/20 0.45
HPGD P15428 1/20 0.45
CYP2C19 P33261 1/20 0.45
KMT2A Q03164 1/20 0.45
TUBB4A P04350 2/20 0.43
TUBB P07437 2/20 0.43
TUBA3C P0DPH7 2/20 0.43
TUBA1B P68363 2/20 0.43
TUBA4A P68366 2/20 0.43
TUBB4B P68371 2/20 0.43
TUBB3 Q13509 2/20 0.43
TUBB2A Q13885 2/20 0.43
TUBB8 Q3ZCM7 2/20 0.43
TUBA3E Q6PEY2 2/20 0.43
TUBA1A Q71U36 2/20 0.43

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
SCHEMBL8339556 0.88 MAPT (0.38) MAPTNPSR1KDM4EMEN1CYP1A2
SCHEMBL8336291 0.87 MAPT (0.43) MAPTNPSR1KDM4EMEN1CYP1A2
SCHEMBL8337435 0.86 MAPT (0.46) MAPTNPSR1KDM4EMEN1CYP1A2
SCHEMBL8336809 0.86 CNR2 (0.47) MAPTNPSR1KDM4EMEN1CYP1A2
SCHEMBL8340813 0.85 TUBB4A (0.40) MAPTNPSR1KDM4EMEN1CYP1A2
SCHEMBL8335085 0.84 MAPT (0.44) MAPTNPSR1KDM4EMEN1CYP1A2
SCHEMBL8334430 0.83 CNR2 (0.41) MAPTNPSR1KDM4EMEN1CYP1A2
SCHEMBL8339826 0.82 KDM4E (0.42) MAPTNPSR1KDM4EMEN1CYP1A2
SCHEMBL8339230 0.81 TUBB4A (0.40) MAPTNPSR1KDM4EMEN1CYP1A2
SCHEMBL8338716 0.81 HTR1A (0.40) MAPTNPSR1KDM4EMEN1CYP1A2

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