SCHEMBL8962231

SCHEMBL8962231

COc1cccc(S(=O)(=O)c2ccc(C(=O)O)c(C(=O)O)c2)c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 3/20 0.56
APEX1 P27695 1/20 0.56
CTDSP1 Q9GZU7 1/20 0.56
L3MBTL1 Q9Y468 1/20 0.56
MTNR1B P49286 1/20 0.53
PDE4B Q07343 2/20 0.51
ABCC9 O60706 1/20 0.50
ABCC8 Q09428 1/20 0.50
KCNJ11 Q14654 1/20 0.50
KCNJ8 Q15842 1/20 0.50
AKR1C3 P42330 1/20 0.48
AKR1C2 P52895 1/20 0.48
KDM4E B2RXH2 1/20 0.48
FLT1 P17948 1/20 0.47
FLT4 P35916 1/20 0.47
KDR P35968 1/20 0.47
HSD11B1 P28845 1/20 0.47
MEP1B Q16820 1/20 0.46
KAT6A Q92794 2/20 0.45
NAMPT P43490 1/20 0.45

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
SCHEMBL8962292 0.86 POLB (0.68) POLBAPEX1CTDSP1L3MBTL1AKR1C3
SCHEMBL8999887 0.84 APEX1 (0.59) POLBAPEX1CTDSP1L3MBTL1KDM4E
SCHEMBL11704023 0.83 POLB (0.49) POLBAPEX1CTDSP1L3MBTL1AKR1C3
SCHEMBL3151230 0.82 MTNR1B (0.56) MTNR1BABCC9ABCC8KCNJ11KCNJ8
SCHEMBL31352975 0.82 MTNR1B (0.56) MTNR1BABCC9ABCC8KCNJ11KCNJ8
SCHEMBL7631413 0.82 POLB (0.62) POLBAPEX1CTDSP1L3MBTL1AKR1C3
SCHEMBL11777522 0.82 AKR1C3 (0.51) POLBL3MBTL1AKR1C3AKR1C2KDM4E
SCHEMBL8962244 0.81 POLB (0.52) POLBAPEX1CTDSP1L3MBTL1MTNR1B
SCHEMBL5426543 0.81 APEX1 (0.64) POLBAPEX1CTDSP1L3MBTL1KDM4E
SCHEMBL14282636 0.81 PGR (0.56) MTNR1BABCC9ABCC8KCNJ11KCNJ8

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