SCHEMBL7785541

SCHEMBL7785541

COc1cc(C(=O)c2ccc(F)cc2)cc([N+](=O)[O-])c1OC

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TTR P02766 2/20 0.59
TUBB4A P04350 11/20 0.56
TUBB P07437 11/20 0.56
TUBA3C P0DPH7 11/20 0.56
TUBA1B P68363 11/20 0.56
TUBA4A P68366 11/20 0.56
TUBB4B P68371 11/20 0.56
TUBB3 Q13509 11/20 0.56
TUBB2A Q13885 11/20 0.56
TUBB8 Q3ZCM7 11/20 0.56
TUBA3E Q6PEY2 11/20 0.56
TUBA1A Q71U36 11/20 0.56
TUBA1C Q9BQE3 11/20 0.56
TUBB6 Q9BUF5 11/20 0.56
TUBB2B Q9BVA1 11/20 0.56
TUBB1 Q9H4B7 11/20 0.56
ALDH1A1 P00352 2/20 0.50
ABCB1 P08183 2/20 0.50
ABCC1 P33527 2/20 0.50
LMNA P02545 1/20 0.50

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 0.89 TTR (0.58) TTRTUBB4ATUBBTUBA3CTUBA1B
SCHEMBL7365333 0.88 TTR (0.75) TTRTUBB4ATUBBTUBA3CTUBA1B
SCHEMBL7785665 0.88 TUBB4A (0.73) TTRTUBB4ATUBBTUBA3CTUBA1B
SCHEMBL7368574 0.86 TUBB4A (0.57) TTRTUBB4ATUBBTUBA3CTUBA1B
SCHEMBL7787627 0.86 TTR (0.58) TTRALDH1A1LMNARAF1MAPT
SCHEMBL7367943 0.86 TTR (0.62) TTRTUBB4ATUBBTUBA3CTUBA1B
SCHEMBL31337892 0.84 TTR (0.62) TTRTUBB4ATUBBTUBA3CTUBA1B
SCHEMBL4818707 0.83 TUBB4A (0.62) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL4824442 0.82 TUBB4A (0.60) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL7374869 0.81 ALDH1A1 (0.63) TTRTUBB4ATUBBTUBA3CTUBA1B

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