SCHEMBL7994980

SCHEMBL7994980

O=C(O)c1ccc(Oc2ccc(S(=O)(=O)O)cc2)cc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.59
APEX1 P27695 1/20 0.59
CTDSP1 Q9GZU7 1/20 0.59
L3MBTL1 Q9Y468 1/20 0.59
PARP15 Q460N3 1/20 0.58
PARP10 Q53GL7 1/20 0.58
SRD5A2 P31213 4/20 0.56
GFER P55789 1/20 0.55
PTGES O14684 2/20 0.52
CA1 P00915 3/20 0.52
CA2 P00918 3/20 0.52
CA12 O43570 2/20 0.52
CA9 Q16790 2/20 0.52
CA14 Q9ULX7 2/20 0.52
CA3 P07451 1/20 0.52
CA6 P23280 1/20 0.52
CYP2C19 P33261 1/20 0.52
CA5A P35218 1/20 0.52
CA7 P43166 1/20 0.52
CA5B Q9Y2D0 1/20 0.52

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
SCHEMBL9245494 1.00 POLB (0.59) POLBAPEX1CTDSP1L3MBTL1PARP15
SCHEMBL239545 0.88 CA2 (0.64) SRD5A2CA1CA2CA12CA9
SCHEMBL472613 0.87 LCK (0.58) POLBAPEX1CTDSP1L3MBTL1PARP15
Terephthalic Acid SCHEMBL15194069 0.87 LCK (0.69) POLBAPEX1CTDSP1L3MBTL1PARP15
SCHEMBL78937 0.87 LCK (0.58) POLBAPEX1CTDSP1L3MBTL1PARP15
SCHEMBL14510708 0.87 SRD5A2 (0.56) POLBAPEX1CTDSP1L3MBTL1PARP15
SCHEMBL1634512 0.86 POLB (0.76) POLBAPEX1CTDSP1L3MBTL1PARP15
SCHEMBL9855503 0.86 POLB (0.76) POLBAPEX1CTDSP1L3MBTL1PARP15
SCHEMBL11050987 0.86 POLB (0.76) POLBAPEX1CTDSP1L3MBTL1PARP15
Potassium SCHEMBL31427540 0.86 LCK (0.56) POLBAPEX1CTDSP1L3MBTL1PARP15

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-2001010838-A1 MULTIVALENT COMPOUNDS THE PROCTER & GAMBLE COMPANY (US) 2001-02-15 WO disclosed