SCHEMBL9054334

SCHEMBL9054334

O=C(O)c1cc(O)c(O)c(OS(=O)(=O)c2ccccc2)c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 1/20 0.51
POLB P06746 1/20 0.49
POLA1 P09884 1/20 0.49
ANTXR2 P58335 1/20 0.49
MAPT P10636 4/20 0.48
ALDH1A1 P00352 4/20 0.48
SMN1; SMN2 Q16637 3/20 0.48
CA12 O43570 2/20 0.48
CA1 P00915 2/20 0.48
CA2 P00918 2/20 0.48
CA3 P07451 2/20 0.48
CA4 P22748 2/20 0.48
CA6 P23280 2/20 0.48
CA5A P35218 2/20 0.48
CA7 P43166 2/20 0.48
CA9 Q16790 2/20 0.48
CA14 Q9ULX7 2/20 0.48
CA5B Q9Y2D0 2/20 0.48
KDM4E B2RXH2 2/20 0.48
LMNA P02545 2/20 0.48

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
SCHEMBL9052969 0.90 CA1 (0.48) PTGS2POLBPOLA1ANTXR2MAPT
SCHEMBL7937565 0.87 PTGS2 (0.51) PTGS2POLBPOLA1ANTXR2MAPT
SCHEMBL9052978 0.87 PTGS2 (0.47) PTGS2POLBPOLA1ANTXR2MAPT
SCHEMBL9054965 0.86 PTGS2 (0.48) PTGS2POLBPOLA1ANTXR2MAPT
SCHEMBL9056691 0.86 PTGS2 (0.44) PTGS2POLBPOLA1ANTXR2MAPT
SCHEMBL9055309 0.83 KMT2A (0.48) PTGS2POLBPOLA1ANTXR2MAPT
SCHEMBL9053538 0.83 PTGS2 (0.44) PTGS2POLBPOLA1ANTXR2MAPT
SCHEMBL9056474 0.82 TP53 (0.49) POLBMAPTALDH1A1SMN1; SMN2CA1
SCHEMBL9056482 0.82 TP53 (0.49) POLBMAPTALDH1A1SMN1; SMN2CA1
SCHEMBL9056928 0.81 MEN1 (0.54) PTGS2POLBPOLA1ANTXR2MAPT

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-1996008483-A1 GALLIC ACID DERIVATIVES, METHOD FOR THEIR PREPARATION AND THEIR USE AS DRUGS ROUSSEL UCLAF (FR) 1996-03-21 WO disclosed