SCHEMBL6072772

SCHEMBL6072772

COc1cc(C(=O)Oc2cc(C(=O)O)cc(O)c2O)cc(OC)c1O

nearest known ligand 0.78

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.78
POLA1 P09884 1/20 0.78
ANTXR2 P58335 1/20 0.78
PTGS2 P35354 1/20 0.77
CA12 O43570 3/20 0.71
CA1 P00915 3/20 0.71
CA2 P00918 3/20 0.71
CA4 P22748 3/20 0.71
CA6 P23280 3/20 0.71
CA7 P43166 3/20 0.71
CA9 Q16790 3/20 0.71
CA14 Q9ULX7 3/20 0.71
CA3 P07451 2/20 0.71
CA5A P35218 2/20 0.71
CA5B Q9Y2D0 2/20 0.71
PKM P14618 2/20 0.71
TPMT P51580 5/20 0.58
LMNA P02545 3/20 0.51
SERPINE1 P05121 1/20 0.51
HTT P42858 1/20 0.51

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
SCHEMBL24614012 0.98 POLB (0.81) POLBPOLA1ANTXR2PTGS2CA12
SCHEMBL21584439 0.88 POLB (1.00) POLBPOLA1ANTXR2PTGS2CA12
SCHEMBL21584430 0.88 POLB (1.00) POLBPOLA1ANTXR2PTGS2CA12
SCHEMBL30307875 0.88 POLB (1.00) POLBPOLA1ANTXR2PTGS2CA12
SCHEMBL23750585 0.88 POLB (1.00) POLBPOLA1ANTXR2PTGS2CA12
Syringic Acid SCHEMBL6072775 0.88 PTGS2 (0.92) POLBPOLA1ANTXR2PTGS2CA12
SCHEMBL21584424 0.88 POLB (1.00) POLBPOLA1ANTXR2PTGS2CA12
SCHEMBL21584579 0.88 POLB (1.00) POLBPOLA1ANTXR2PTGS2CA12
Digallic Acid SCHEMBL29836990 0.88 POLB (1.00) POLBPOLA1ANTXR2PTGS2CA12
SCHEMBL30257247 0.88 POLB (1.00) POLBPOLA1ANTXR2PTGS2CA12

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-2006083666-A1 ANTI-INFLAMMATORY SUPPLEMENT COMPOSITIONS AND REGIMENS TO REDUCE CARDIOVASCULAR DISEASE RISKS A.M. TODD COMPANY (US) 2006-08-10 WO disclosed