SCHEMBL8339230

SCHEMBL8339230

COc1cccc(-c2cc(OCCBr)cc(C)c2C(=O)c2csc3ccccc23)c1OC

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TUBB4A P04350 2/20 0.40
TUBB P07437 2/20 0.40
TUBA3C P0DPH7 2/20 0.40
TUBA1B P68363 2/20 0.40
TUBA4A P68366 2/20 0.40
TUBB4B P68371 2/20 0.40
TUBB3 Q13509 2/20 0.40
TUBB2A Q13885 2/20 0.40
TUBB8 Q3ZCM7 2/20 0.40
TUBA3E Q6PEY2 2/20 0.40
TUBA1A Q71U36 2/20 0.40
TUBA1C Q9BQE3 2/20 0.40
TUBB6 Q9BUF5 2/20 0.40
TUBB2B Q9BVA1 2/20 0.40
TUBB1 Q9H4B7 2/20 0.40
MAPT P10636 2/20 0.36
KDM4E B2RXH2 2/20 0.36
HPGD P15428 2/20 0.36
KMT2A Q03164 2/20 0.36
MEN1 O00255 1/20 0.36

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
SCHEMBL8341645 0.93 TUBB4A (0.40) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL8339556 0.93 MAPT (0.38) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL8338716 0.91 HTR1A (0.40) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL8339826 0.87 KDM4E (0.42) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL8334436 0.87 MCL1 (0.39) MAPTCNR2ALDH1A1MCL1
SCHEMBL8336090 0.85 MAPT (0.39) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL8335086 0.85 CNR2 (0.36) MAPTCYP1A2CYP2C19HTR1ACNR2
SCHEMBL8336380 0.84 MAPT (0.38) MAPTKDM4EHPGDKMT2AMEN1
SCHEMBL8334344 0.84 MAPT (0.38) MAPTKDM4EHPGDKMT2AMEN1
SCHEMBL8334595 0.84 CNR2 (0.39) MAPTKMT2AMEN1CYP1A2CYP2C19

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