SCHEMBL3860745

SCHEMBL3860745

COc1cc(O)c(CC=O)c(OC)c1OC

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 1/20 0.42
MAPT P10636 1/20 0.42
ALOX5 P09917 4/20 0.42
IMPDH2 P12268 1/20 0.42
TUBB1 Q9H4B7 5/20 0.41
TUBB4A P04350 4/20 0.41
TUBB P07437 4/20 0.41
TUBA3C P0DPH7 4/20 0.41
TUBA1B P68363 4/20 0.41
TUBA4A P68366 4/20 0.41
TUBB4B P68371 4/20 0.41
TUBB3 Q13509 4/20 0.41
TUBB2A Q13885 4/20 0.41
TUBB8 Q3ZCM7 4/20 0.41
TUBA3E Q6PEY2 4/20 0.41
TUBA1A Q71U36 4/20 0.41
TUBA1C Q9BQE3 4/20 0.41
TUBB6 Q9BUF5 4/20 0.41
TUBB2B Q9BVA1 4/20 0.41
ERN1 O75460 1/20 0.41

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
SCHEMBL15266045 0.88 ALOX5 (0.44) ALOX5IMPDH2ERN1
SCHEMBL16166121 0.79 ABCB1 (0.46) CYP3A4MAPTALOX5TUBB1TUBB4A
SCHEMBL724406 0.77 PTGS2 (0.59) CYP3A4MAPTTUBB1TUBB4ATUBB
SCHEMBL743613 0.77 MEN1 (0.50) CYP3A4MAPTIMPDH2HPGDTDP1
SCHEMBL743276 0.76 ERN1 (0.57) CYP3A4MAPTERN1TRIM24TRIM33
SCHEMBL10804131 0.74 IMPDH2 (0.42) CYP3A4MAPTIMPDH2TUBB1ERN1
SCHEMBL4054939 0.74 CYP3A4 (0.44) CYP3A4MAPTALOX5TUBB1TUBB4A
SCHEMBL16445891 0.73 HMGCR (0.56) CYP3A4MAPTIMPDH2ERN1ALDH1A1
SCHEMBL4054977 0.72 MAPT (0.51) CYP3A4MAPTALOX5ERN1
SCHEMBL9768502 0.71 CYP3A4 (0.58) CYP3A4MAPTALOX5TUBB1TUBB4A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2994460-A1 COMPOUNDS FOR TREATMENT OF ANGIOGENESIS-MEDIATED DISEASES Indiana University Research and Technology Corporation (US) 2016-03-16 EP disclosed
WO-2014182695-A1 COMPOUNDS FOR TREATMENT OF ANGIOGENESIS-MEDIATED DISEASES INDIANA UNIVERSITY RESEARCH & TECHNOLOGY CORPORATION (US) 2014-11-13 WO disclosed
EP-1556031-A4 CHROMONES AND CHROMONE DERIVATIVES AND USES THEREOF JENKEN BIOSCIENCES INC (US) 2009-03-25 EP disclosed
EP-1556031-A2 CHROMONES AND CHROMONE DERIVATIVES AND USES THEREOF Jenken Bioscience, Inc. (US) 2005-07-27 EP disclosed
WO-2004037193-A2 CHROMONES AND CHROMONE DERIVATIVES AND USES THEREOF JENKEN BIOSCIENCES, INC. (US) 2004-05-06 WO disclosed