SCHEMBL5206243

SCHEMBL5206243

COc1cc(OB(O)O)cc(OC)c1OC(C)C

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.38
SRC P12931 2/20 0.37
ALDH1A1 P00352 1/20 0.36
ERN1 O75460 1/20 0.35
MAPT P10636 3/20 0.35
CYP3A4 P08684 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
TUBB4A P04350 3/20 0.34
TUBB P07437 3/20 0.34
TUBA3C P0DPH7 3/20 0.34
TUBA1B P68363 3/20 0.34
TUBA4A P68366 3/20 0.34
TUBB4B P68371 3/20 0.34
TUBB3 Q13509 3/20 0.34
TUBB2A Q13885 3/20 0.34
TUBB8 Q3ZCM7 3/20 0.34
TUBA3E Q6PEY2 3/20 0.34
TUBA1A Q71U36 3/20 0.34
TUBA1C Q9BQE3 3/20 0.34
TUBB6 Q9BUF5 3/20 0.34

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
SCHEMBL5231515 0.86 MAPT (0.35) ERN1MAPTCYP3A4NPSR1TUBB4A
SCHEMBL5207796 0.83 CYP3A4 (0.52) ERN1MAPTCYP3A4TUBB4ATUBB
SCHEMBL4116122 0.78 GAA (0.40) GAASRCALDH1A1ERN1MAPT
SCHEMBL5205549 0.75 HTR2A (0.49) SRCALDH1A1MAPTTUBB4ATUBB
SCHEMBL5203371 0.75 CYP1A2 (0.43) ALDH1A1ERN1MAPTCYP3A4TUBB4A
SCHEMBL6628469 0.75 RXFP1 (0.39) ALDH1A1ERN1MAPTCYP3A4NPSR1
SCHEMBL5206460 0.73 CA12 (0.35) GAAALDH1A1ERN1MAPTCYP3A4
SCHEMBL5206042 0.73 CA12 (0.35) ALDH1A1ERN1MAPTCYP3A4NPSR1
SCHEMBL178390 0.72 ACHE (0.50) MAPTCYP3A4TUBB4ATUBBTUBA3C
SCHEMBL5208220 0.72 SMN1; SMN2 (0.48) GAAALDH1A1ERN1MAPTTUBB4A

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-1403251-B1 BIS(2-ARYL-5-PYRIDYL) DERIVATIVE KOWA CO (JP) 2007-07-18 EP disclosed
EP-1403250-A1 BIS(5-ARYL-2-PYRIDYL) DERIVATIVE Kowa Co., Ltd. (JP) 2004-03-31 EP disclosed
EP-1403251-A1 BIS(2-ARYL-5-PYRIDYL) DERIVATIVE Kowa Co., Ltd. (JP) 2004-03-31 EP disclosed