SCHEMBL8962352

SCHEMBL8962352

CS(=O)(=O)c1ccc(C(=O)O)c(C(=O)O)c1

nearest known ligand 0.70

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.70
APEX1 P27695 2/20 0.50
POLB P06746 1/20 0.50
CTDSP1 Q9GZU7 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.50
ALDH1A1 P00352 4/20 0.47
KDM4E B2RXH2 2/20 0.47
HSD17B10 Q99714 2/20 0.47
HPGD P15428 1/20 0.47
ENPP2 Q13822 1/20 0.45
AKR1C3 P42330 2/20 0.45
AKR1C2 P52895 2/20 0.45
MAPK1 P28482 1/20 0.43
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
CDC25A P30304 1/20 0.41
CDC25B P30305 1/20 0.41
ALOX15 P16050 1/20 0.41

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
SCHEMBL21184203 0.90 LMNA (0.64) LMNAAPEX1POLBCTDSP1L3MBTL1
SCHEMBL27669128 0.86 LMNA (0.58) LMNAAPEX1POLBCTDSP1L3MBTL1
SCHEMBL1018611 0.84 LMNA (0.61) LMNAAPEX1POLBALDH1A1KDM4E
SCHEMBL4419627 0.84 ALDH1A1 (0.68) LMNAPOLBALDH1A1KDM4EHSD17B10
SCHEMBL1017780 0.84 LMNA (0.61) LMNAALDH1A1HSD17B10ENPP2AKR1C3
SCHEMBL35247 0.84 LMNA (0.66) LMNAPOLBL3MBTL1ALDH1A1KDM4E
SCHEMBL30868512 0.84 ALDH1A1 (0.68) LMNAPOLBALDH1A1KDM4EHSD17B10
SCHEMBL1042597 0.84 LMNA (0.61) LMNAPOLBCTDSP1ALDH1A1KDM4E
SCHEMBL1397921 0.83 APEX1 (0.67) LMNAAPEX1POLBCTDSP1L3MBTL1
SCHEMBL65212 0.83 APEX1 (0.67) LMNAAPEX1POLBCTDSP1L3MBTL1

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