SCHEMBL8340813

SCHEMBL8340813

COc1cc(C)c(C(=O)c2csc3ccccc23)c(-c2cccc(F)c2OC)c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TUBB4A P04350 6/20 0.40
TUBB P07437 6/20 0.40
TUBA3C P0DPH7 6/20 0.40
TUBA1B P68363 6/20 0.40
TUBA4A P68366 6/20 0.40
TUBB4B P68371 6/20 0.40
TUBB3 Q13509 6/20 0.40
TUBB2A Q13885 6/20 0.40
TUBB8 Q3ZCM7 6/20 0.40
TUBA3E Q6PEY2 6/20 0.40
TUBA1A Q71U36 6/20 0.40
TUBA1C Q9BQE3 6/20 0.40
TUBB6 Q9BUF5 6/20 0.40
TUBB2B Q9BVA1 6/20 0.40
TUBB1 Q9H4B7 6/20 0.40
CNR2 P34972 3/20 0.40
MAPT P10636 2/20 0.38
KDM4E B2RXH2 1/20 0.38
MEN1 O00255 1/20 0.38
CYP1A2 P05177 1/20 0.38

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
SCHEMBL8340660 0.85 MAPT (0.45) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL8336291 0.82 MAPT (0.43) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL8335085 0.82 MAPT (0.44) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL8336809 0.81 CNR2 (0.47) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL8339230 0.79 TUBB4A (0.40) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL8335086 0.79 CNR2 (0.36) CNR2MAPTCYP1A2CYP2C19ALDH1A1
SCHEMBL8334430 0.79 CNR2 (0.41) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL8334595 0.79 CNR2 (0.39) CNR2MAPTMEN1CYP1A2CYP2C19
SCHEMBL8337435 0.78 MAPT (0.46) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL8339938 0.77 PRKCZ (0.40) CNR2MAPTKDM4EMEN1CYP1A2

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