SCHEMBL5233122

SCHEMBL5233122

COc1ccc(OB(O)O)c(OC)c1OC

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.41
TDP1 Q9NUW8 1/20 0.41
ENPP2 Q13822 1/20 0.40
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
ABCG2 Q9UNQ0 1/20 0.40
HDAC4 P56524 1/20 0.40

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
SCHEMBL30916758 1.00 MAPT (0.41) MAPTTDP1ENPP2TUBB4ATUBB
SCHEMBL5205139 0.87 ENPP2 (0.47) MAPTENPP2ERN1ORAI1ORAI2
SCHEMBL3331371 0.80 CYP3A4 (0.46) MAPTTUBB4ATUBBTUBA3CTUBA1B
SCHEMBL30701949 0.80 CA9 (0.50) MAPTTDP1ABCG2AOC3CYP3A4
SCHEMBL3674074 0.80 CA9 (0.50) MAPTTDP1ABCG2AOC3CYP3A4
SCHEMBL30527279 0.78 ENPP2 (0.42) MAPTENPP2ERN1ORAI1ORAI2
SCHEMBL31318390 0.78 HTR2A (0.33) ENPP2TUBB4ATUBBTUBA3CTUBA1B
SCHEMBL23439 0.77 TUBB4A (0.51) MAPTTDP1ENPP2TUBB4ATUBB
SCHEMBL29466487 0.77 TUBB4A (0.51) MAPTTDP1ENPP2TUBB4ATUBB
SCHEMBL5211079 0.77 ENPP2 (0.50) MAPTENPP2ERN1ORAI1ORAI2

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1403250-B1 BIS(5-ARYL-2-PYRIDYL) DERIVATIVE KOWA CO (JP) 2007-07-18 EP disclosed
EP-0675118-B1 Biphenylderivatives, process for their preparation and their use as medicaments EISAI CO LTD (JP) 2002-10-09 EP disclosed
US-6281214-B1 USEFUL FOR TREATING AND AMELIORATING MENTAL DISORDERS EISAI CO., LTD (JP) 2001-08-28 US disclosed
EP-0675118-A2 Biphenylderivatives, process for their preparation and their use as medicaments Eisai Co., Ltd. (JP) 1995-10-04 EP disclosed