SCHEMBL9057549

SCHEMBL9057549

Nc1ccccc1S(=O)(=O)Oc1cc(C(=O)O)cc(O)c1O

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 1/20 0.45
POLB P06746 1/20 0.43
POLA1 P09884 1/20 0.43
ANTXR2 P58335 1/20 0.43
CA12 O43570 3/20 0.42
CA1 P00915 3/20 0.42
CA2 P00918 3/20 0.42
CA4 P22748 3/20 0.42
CA6 P23280 3/20 0.42
CA5A P35218 3/20 0.42
CA7 P43166 3/20 0.42
CA9 Q16790 3/20 0.42
CA14 Q9ULX7 3/20 0.42
CA5B Q9Y2D0 3/20 0.42
CA3 P07451 2/20 0.42
HSD17B10 Q99714 2/20 0.42
KDM4E B2RXH2 1/20 0.42
ALDH1A1 P00352 1/20 0.42
LMNA P02545 1/20 0.42
TP53 P04637 1/20 0.42

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
SCHEMBL9056928 0.84 MEN1 (0.54) PTGS2POLBPOLA1ANTXR2CA12
SCHEMBL9054225 0.83 PTGS2 (0.59) PTGS2POLBPOLA1ANTXR2CA12
SCHEMBL9054334 0.81 PTGS2 (0.51) PTGS2POLBPOLA1ANTXR2CA12
SCHEMBL9052370 0.81 PTGS2 (0.42) PTGS2POLBPOLA1ANTXR2CA12
SCHEMBL9058254 0.81 HPGD (0.49) POLBCA1CA2ALDH1A1LMNA
SCHEMBL9058253 0.81 HPGD (0.49) POLBCA1CA2ALDH1A1LMNA
SCHEMBL9053580 0.81 ALKBH2 (0.43) PTGS2POLBPOLA1ANTXR2CA12
SCHEMBL9052978 0.78 PTGS2 (0.47) PTGS2POLBPOLA1ANTXR2CA12
SCHEMBL9056691 0.77 PTGS2 (0.44) PTGS2POLBPOLA1ANTXR2CA12
SCHEMBL9056520 0.75 ENPP2 (0.49) CA1CA2CA9KDM4EALDH1A1

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