SCHEMBL7785665

SCHEMBL7785665

COc1ccc(C(=O)c2cc(OC)c(OC)c([N+](=O)[O-])c2)cc1

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TUBB4A P04350 3/20 0.73
TUBB P07437 3/20 0.73
TUBA3C P0DPH7 3/20 0.73
TUBA1B P68363 3/20 0.73
TUBA4A P68366 3/20 0.73
TUBB4B P68371 3/20 0.73
TUBB3 Q13509 3/20 0.73
TUBB2A Q13885 3/20 0.73
TUBB8 Q3ZCM7 3/20 0.73
TUBA3E Q6PEY2 3/20 0.73
TUBA1A Q71U36 3/20 0.73
TUBA1C Q9BQE3 3/20 0.73
TUBB6 Q9BUF5 3/20 0.73
TUBB2B Q9BVA1 3/20 0.73
TUBB1 Q9H4B7 3/20 0.73
MAPT P10636 5/20 0.65
ALDH1A1 P00352 4/20 0.65
MAPK1 P28482 4/20 0.65
HPGD P15428 2/20 0.65
LMNA P02545 1/20 0.65

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
SCHEMBL7368386 0.90 TTR (0.58) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL7785541 0.88 TTR (0.59) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL7371341 0.88 TTR (0.65) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL7368574 0.87 TUBB4A (0.57) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL9189645 0.85 TUBB4A (1.00) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL4818707 0.84 TUBB4A (0.62) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL7367943 0.84 TTR (0.62) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL4824442 0.83 TUBB4A (0.60) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL31337892 0.83 TTR (0.62) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL4821171 0.81 TUBB1 (0.57) 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6329405-B1 AS ILEAL BILE ACID TRANSPORTER INHIBITOR, FOR THERAPY OF HYPERLIPEMIA SANKYO COMPANY, LIMITED (JP) 2001-12-11 US disclosed
CN-1287117-A Cyclobutene derivatives, preparation method and therapeutic use thereof SANKYO CO (JP) 2001-03-14 CN disclosed
EP-1070703-A1 Cyclobutene derivatives Sankyo Company Limited (JP) 2001-01-24 EP disclosed