SCHEMBL5203576

SCHEMBL5203576

COCCOc1c(OC)cc(OB(O)O)cc1OC

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TNFRSF1A P19438 1/20 0.45
MAPK1 P28482 2/20 0.41
SMN1; SMN2 Q16637 3/20 0.38
MAPT P10636 4/20 0.36
L3MBTL1 Q9Y468 4/20 0.36
RAB9A P51151 1/20 0.36
ALDH1A1 P00352 2/20 0.35
LMNA P02545 2/20 0.35
TUBB4A P04350 1/20 0.35
TUBB P07437 1/20 0.35
TUBA3C P0DPH7 1/20 0.35
TUBA1B P68363 1/20 0.35
TUBA4A P68366 1/20 0.35
TUBB4B P68371 1/20 0.35
TUBB3 Q13509 1/20 0.35
TUBB2A Q13885 1/20 0.35
TUBB8 Q3ZCM7 1/20 0.35
TUBA3E Q6PEY2 1/20 0.35
TUBA1A Q71U36 1/20 0.35
TUBA1C Q9BQE3 1/20 0.35

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
SCHEMBL5208220 0.87 SMN1; SMN2 (0.48) MAPK1SMN1; SMN2MAPTL3MBTL1RAB9A
SCHEMBL5205549 0.83 HTR2A (0.49) SMN1; SMN2MAPTALDH1A1LMNATUBB4A
SCHEMBL5205311 0.80 MAPK1 (0.35) TNFRSF1AMAPK1SMN1; SMN2MAPTL3MBTL1
SCHEMBL5207796 0.80 CYP3A4 (0.52) MAPTTUBB4ATUBBTUBA3CTUBA1B
SCHEMBL6340052 0.79 TNFRSF1A (0.47) TNFRSF1AMAPK1SMN1; SMN2MAPTL3MBTL1
SCHEMBL5203497 0.78 CYP2C9 (0.35) MAPK1MAPTL3MBTL1ALDH1A1TUBB4A
SCHEMBL18292053 0.76 MAPK1 (0.58) TNFRSF1AMAPK1SMN1; SMN2ALDH1A1TUBB4A
SCHEMBL5203822 0.75 GAA (0.48) MAPTALDH1A1LMNAHPGDKMT2A
SCHEMBL5205439 0.75 TNFRSF1A (0.51) TNFRSF1ASMN1; SMN2RAB9ATUBB4ATUBB
SCHEMBL5208622 0.73 TNFRSF1A (0.47) TNFRSF1AMAPK1SMN1; SMN2MAPTL3MBTL1

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

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