SCHEMBL8962244

SCHEMBL8962244

CCCCOc1cccc(S(=O)(=O)c2ccc(C(=O)O)c(C(=O)O)c2)c1

nearest known ligand 0.56

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.52
APEX1 P27695 1/20 0.52
CTDSP1 Q9GZU7 1/20 0.52
L3MBTL1 Q9Y468 1/20 0.52
KAT6A Q92794 2/20 0.51
PTPN11 Q06124 3/20 0.48
S1PR3 Q99500 1/20 0.48
DHODH Q02127 1/20 0.47
PLA2G4B P0C869 2/20 0.47
KMT2A Q03164 1/20 0.47
AKR1C2 P52895 1/20 0.46
AKR1C1 Q04828 1/20 0.46
NR1H4 Q96RI1 1/20 0.46
MTNR1B P49286 1/20 0.45
TLR4 O00206 1/20 0.44
TLR2 O60603 1/20 0.44
NAMPT P43490 2/20 0.44

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
SCHEMBL11701267 0.85 KAT6A (0.47) KAT6APTPN11S1PR3DHODHPLA2G4B
SCHEMBL11774809 0.85 PTPN11 (0.49) KAT6APTPN11DHODHPLA2G4BKMT2A
SCHEMBL8962231 0.81 POLB (0.56) POLBAPEX1CTDSP1L3MBTL1KAT6A
SCHEMBL21543820 0.81 PTPN11 (0.62) PTPN11PLA2G4B
SCHEMBL11576164 0.79 TSHR (0.53) POLBAPEX1CTDSP1L3MBTL1S1PR3
SCHEMBL8962127 0.79 APEX1 (0.63) POLBAPEX1CTDSP1L3MBTL1PLA2G4B
SCHEMBL7631413 0.78 POLB (0.62) POLBAPEX1CTDSP1L3MBTL1PTPN11
SCHEMBL8085899 0.78 PTPN11 (0.68) PTPN11PLA2G4B
SCHEMBL8999887 0.78 APEX1 (0.59) POLBAPEX1CTDSP1L3MBTL1KMT2A
SCHEMBL7272804 0.77 PTPN11 (0.70) PTPN11PLA2G4B

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