SCHEMBL11051169

SCHEMBL11051169

Cc1cc(O)n(CCC(=O)O)c(=O)c1S(=O)(=O)O

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.41
APEX1 P27695 2/20 0.40
L3MBTL1 Q9Y468 2/20 0.40
POLB P06746 2/20 0.40
HSD17B10 Q99714 1/20 0.40
FABP4 P15090 2/20 0.39
MAPT P10636 1/20 0.39
KMO O15229 2/20 0.39
ALDH1A1 P00352 4/20 0.36
PKM P14618 1/20 0.36
HTT P42858 1/20 0.35
NPSR1 Q6W5P4 1/20 0.34
VEGFA P15692 1/20 0.34
EGLN1 Q9GZT9 1/20 0.34
CTSG P08311 1/20 0.33
CMA1 P23946 1/20 0.33

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
SCHEMBL7888451 0.85 GRIN2D (0.40) KDM4EAPEX1L3MBTL1FABP4ALDH1A1
SCHEMBL11339850 0.84 KDM4E (0.42) KDM4EL3MBTL1HSD17B10MAPTALDH1A1
SCHEMBL7891026 0.84 MEN1 (0.42) KDM4EL3MBTL1HSD17B10MAPTALDH1A1
SCHEMBL11053467 0.82 ALDH1A1 (0.33) KDM4EL3MBTL1MAPTALDH1A1NPSR1
SCHEMBL11290276 0.81 ALDH1A1 (0.49) KDM4EL3MBTL1POLBMAPTALDH1A1
SCHEMBL6875333 0.80 KDM4E (0.40) KDM4EL3MBTL1POLBMAPTALDH1A1
SCHEMBL11334497 0.80 ALDH1A1 (0.45) KDM4EPOLBHSD17B10MAPTALDH1A1
SCHEMBL7888404 0.80 KDM4E (0.41) KDM4EL3MBTL1HSD17B10MAPTALDH1A1
SCHEMBL7890128 0.77 KDM4E (0.51) KDM4EL3MBTL1POLBHSD17B10MAPT
SCHEMBL7883059 0.75 KDM4E (0.42) KDM4EAPEX1L3MBTL1POLBHSD17B10

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
EP-0078024-B1 WATER-SOLUBLE PYRIDONE AZO COMPOUNDS, PROCESS FOR THEIR PREPARATION AND THEIR USE AS DYESTUFFS HOECHST AKTIENGESELLSCHAFT (DE) 1984-09-19 EP disclosed