SCHEMBL7607290

SCHEMBL7607290

COc1ccc2c(c1O)C(=O)O[C@@H]2[C@@]1(I)c2c(cc3c(c2OC)OCO3)CCN1C

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TUBB4A P04350 3/20 0.63
TUBB P07437 3/20 0.63
TUBA3C P0DPH7 3/20 0.63
TUBA1B P68363 3/20 0.63
TUBA4A P68366 3/20 0.63
TUBB4B P68371 3/20 0.63
TUBB3 Q13509 3/20 0.63
TUBB2A Q13885 3/20 0.63
TUBB8 Q3ZCM7 3/20 0.63
TUBA3E Q6PEY2 3/20 0.63
TUBA1A Q71U36 3/20 0.63
TUBA1C Q9BQE3 3/20 0.63
TUBB6 Q9BUF5 3/20 0.63
TUBB2B Q9BVA1 3/20 0.63
TUBB1 Q9H4B7 3/20 0.63
CYP3A4 P08684 7/20 0.53
CYP2C9 P11712 4/20 0.53
CYP2C19 P33261 4/20 0.53
ABCB11 O95342 2/20 0.53
CYP1A2 P05177 2/20 0.53

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
SCHEMBL13394635 0.93 CYP3A4 (0.61) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL12337063 0.85 CYP3A4 (0.55) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL29617589 0.77 TUBB4A (1.00) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL6245830 0.77 TUBB4A (1.00) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL15656749 0.77 TUBB4A (1.00) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL12337064 0.73 TUBB4A (0.56) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL15698294 0.72 TUBB4A (0.84) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL6243471 0.71 TUBB4A (0.69) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL29376663 0.71 CYP3A4 (0.85) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL13394629 0.71 CYP3A4 (0.85) TUBB4ATUBBTUBA3CTUBA1BTUBA4A

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
WO-2012064654-A1 METHODS FOR PREVENTION AND TREATMENT OF INFLUENZA INHIBIKASE THERAPEUTICS, INC. (US) 2012-05-18 WO disclosed