SCHEMBL7784893

SCHEMBL7784893

COc1ccc(C(NC(C)c2ccc(F)c(F)c2)c2cc(N)c(OC)c(OC)c2)cc1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.34
MAPT P10636 3/20 0.34
HTT P42858 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
CA1 P00915 2/20 0.33
CA2 P00918 2/20 0.33
ACHE P22303 2/20 0.33
TUBB4A P04350 5/20 0.33
TUBB P07437 5/20 0.33
TUBA3C P0DPH7 5/20 0.33
TUBA1B P68363 5/20 0.33
TUBA4A P68366 5/20 0.33
TUBB4B P68371 5/20 0.33
TUBB3 Q13509 5/20 0.33
TUBB2A Q13885 5/20 0.33
TUBB8 Q3ZCM7 5/20 0.33
TUBA3E Q6PEY2 5/20 0.33
TUBA1A Q71U36 5/20 0.33
TUBA1C Q9BQE3 5/20 0.33
TUBB6 Q9BUF5 5/20 0.33

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
SCHEMBL7787498 0.92 CA1 (0.34) MAPTHTTCA1CA2ACHE
SCHEMBL7784922 0.89 ALDH1A1 (0.36) ALDH1A1MAPTHTTCA1CA2
SCHEMBL7785072 0.86 ALDH1A1 (0.38) ALDH1A1MAPTHTTL3MBTL1CA1
SCHEMBL7780785 0.83 TDP1 (0.43) ALDH1A1MAPTHTTL3MBTL1CA1
SCHEMBL7785523 0.83 MAPT (0.40) ALDH1A1MAPTHTTL3MBTL1TUBB4A
SCHEMBL7785112 0.80 KMT2A (0.44) ALDH1A1MAPTHTTL3MBTL1GAA
SCHEMBL7787455 0.79 CYP2D6 (0.39) ALDH1A1MAPTHTTL3MBTL1CA1
SCHEMBL7785127 0.78 ALDH1A1 (0.41) ALDH1A1MAPTHTTL3MBTL1CA1
SCHEMBL7780568 0.78 ALDH1A1 (0.39) ALDH1A1MAPTHTTL3MBTL1CA1
SCHEMBL7780432 0.78 ALDH1A1 (0.41) ALDH1A1MAPTHTTL3MBTL1CA1

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