SCHEMBL8962292

SCHEMBL8962292

COc1ccc(S(=O)(=O)c2ccc(C(=O)O)c(C(=O)O)c2)cc1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 4/20 0.68
APEX1 P27695 2/20 0.68
L3MBTL1 Q9Y468 2/20 0.68
CTDSP1 Q9GZU7 1/20 0.68
PKM P14618 3/20 0.61
GAA P10253 3/20 0.57
KDM4E B2RXH2 3/20 0.49
AKR1C3 P42330 1/20 0.48
AKR1C2 P52895 1/20 0.48
SMN1; SMN2 Q16637 2/20 0.47
RAPGEF4 Q8WZA2 1/20 0.47
ALDH1A1 P00352 3/20 0.47
MMP2 P08253 2/20 0.47
MMP8 P22894 2/20 0.47
MMP12 P39900 2/20 0.47
MMP13 P45452 2/20 0.47
MMP14 P50281 2/20 0.47
MMP16 P51512 2/20 0.47
MMP9 P14780 1/20 0.47
RXFP1 Q9HBX9 2/20 0.47

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
SCHEMBL10450773 0.87 POLB (0.88) POLBAPEX1L3MBTL1CTDSP1PKM
SCHEMBL8962231 0.86 POLB (0.56) POLBAPEX1L3MBTL1CTDSP1KDM4E
SCHEMBL8999902 0.86 APEX1 (0.70) POLBAPEX1L3MBTL1CTDSP1PKM
SCHEMBL11583247 0.84 POLB (0.51) POLBAPEX1L3MBTL1CTDSP1PKM
SCHEMBL29364883 0.84 APEX1 (0.67) POLBAPEX1L3MBTL1CTDSP1GAA
SCHEMBL65212 0.84 APEX1 (0.67) POLBAPEX1L3MBTL1CTDSP1GAA
SCHEMBL29394064 0.84 APEX1 (0.67) POLBAPEX1L3MBTL1CTDSP1GAA
SCHEMBL1397921 0.84 APEX1 (0.67) POLBAPEX1L3MBTL1CTDSP1GAA
SCHEMBL8962127 0.83 APEX1 (0.63) POLBAPEX1L3MBTL1CTDSP1GAA
SCHEMBL268999 0.82 APEX1 (0.65) POLBAPEX1L3MBTL1CTDSP1GAA

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-5530130-A DYEING PLASTICS BAYER AKTIENGESELLSCHAFT (DE) 1996-06-25 US disclosed
EP-0639624-A1 Phthaloperinone dyestuffs BAYER AG (DE) 1995-02-22 EP disclosed