SCHEMBL5960472

SCHEMBL5960472

CC(=O)Oc1cc(O)c(O)c(C=Cc2ccccc2)c1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.51
CYP3A4 P08684 4/20 0.51
MAPT P10636 4/20 0.51
TP53 P04637 3/20 0.51
KDM4E B2RXH2 2/20 0.51
MEN1 O00255 2/20 0.51
SMN1; SMN2 Q16637 2/20 0.51
LMNA P02545 2/20 0.51
TTR P02766 2/20 0.51
CYP19A1 P11511 2/20 0.48
TUBB4A P04350 2/20 0.47
TUBB P07437 2/20 0.47
TUBA3C P0DPH7 2/20 0.47
TUBA1B P68363 2/20 0.47
TUBA4A P68366 2/20 0.47
TUBB4B P68371 2/20 0.47
TUBB3 Q13509 2/20 0.47
TUBB2A Q13885 2/20 0.47
TUBB8 Q3ZCM7 2/20 0.47
TUBA3E Q6PEY2 2/20 0.47

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
SCHEMBL718479 0.80 KMT2A (0.77) KMT2ACYP3A4MAPTTP53KDM4E
SCHEMBL718478 0.80 KMT2A (0.77) KMT2ACYP3A4MAPTTP53KDM4E
SCHEMBL5610949 0.78 TUBB1 (0.50) KMT2ACYP3A4MAPTTP53KDM4E
SCHEMBL5610950 0.78 TUBB1 (0.50) KMT2ACYP3A4MAPTTP53KDM4E
SCHEMBL716755 0.76 KMT2A (0.71) KMT2ACYP3A4MAPTTP53KDM4E
SCHEMBL716756 0.76 KMT2A (0.71) KMT2ACYP3A4MAPTTP53KDM4E
SCHEMBL27677458 0.76 PTPN1 (0.76) KMT2ACYP3A4MAPTTP53KDM4E
SCHEMBL3837232 0.76 KMT2A (0.47) KMT2ACYP3A4MAPTTP53KDM4E
SCHEMBL716895 0.75 KMT2A (0.60) KMT2ACYP3A4MAPTTP53KDM4E
SCHEMBL716894 0.75 KMT2A (0.60) KMT2ACYP3A4MAPTTP53KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2006004722-A2 COMPOSITIONS AND METHODS FOR SELECTIVELY ACTIVATING HUMAN SIRTUINS BIOMOL RESEARCH LABORATORIES, INC. (US) 2006-01-12 WO claimed