SCHEMBL724972

SCHEMBL724972

O=C(O)c1c(O)cc(O)c(C(=O)c2ccc(O)c(O)c2)c1O

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.59
CA12 O43570 3/20 0.59
CA1 P00915 3/20 0.59
CA2 P00918 3/20 0.59
CA7 P43166 3/20 0.59
CA9 Q16790 3/20 0.59
CA14 Q9ULX7 3/20 0.59
MAPT P10636 3/20 0.59
GAA P10253 2/20 0.59
CA4 P22748 2/20 0.59
CA6 P23280 2/20 0.59
POLB P06746 1/20 0.59
PTGS2 P35354 1/20 0.59
L3MBTL1 Q9Y468 1/20 0.59
SYNJ2 O15056 1/20 0.49
SIRT1 Q96EB6 1/20 0.46
IGFBP1 P08833 1/20 0.45
IGFBP3 P17936 1/20 0.45
IGFBP2 P18065 1/20 0.45
IGFBP4 P22692 1/20 0.45

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
SCHEMBL4245199 0.85 CA12 (0.52) KDM4ECA12CA1CA2CA7
SCHEMBL21935558 0.82 CA12 (0.58) KDM4ECA12CA1CA2CA7
SCHEMBL19003452 0.80 CA12 (0.56) KDM4ECA12CA1CA2CA7
SCHEMBL9350983 0.79 FFAR1 (0.52) KDM4ECA12CA1CA2CA7
Protocatechuic Acid SCHEMBL27897569 0.78 CA12 (0.95) KDM4ECA12CA1CA2CA7
SCHEMBL29071843 0.77 SYNJ2 (0.56) KDM4ECA12CA1CA2CA7
SCHEMBL1758192 0.77 CA12 (0.68) KDM4ECA12CA1CA2CA7
Maclurin SCHEMBL29523046 0.76 SYNJ2 (0.69) KDM4ECA12CA1CA2CA7
Maclurin SCHEMBL758337 0.76 SYNJ2 (0.69) KDM4ECA12CA1CA2CA7
Protocatechuic Acid SCHEMBL29350008 0.75 CA12 (1.00) KDM4ECA12CA1CA2CA7

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
US-20130133108-A1 EXTRACTS FROM PIRIN+ AND PIRIN- PLANTS AND USES THEREOF THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS 2013-05-23 US disclosed
WO-2012027609-A2 EXTRACTS FROM PIRIN+ AND PIRIN- PLANTS AND USES THEREOF THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS (US) 2012-03-01 WO disclosed