SCHEMBL8915839

SCHEMBL8915839

O=C(OO)c1ccc(N2C(=O)c3ccccc3C2=O)cc1

nearest known ligand 0.67

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CA9 Q16790 4/20 0.67
SCN2A Q99250 4/20 0.67
CA12 O43570 3/20 0.67
CA1 P00915 2/20 0.67
CA2 P00918 2/20 0.67
PLA2G1B P04054 1/20 0.62
ATG4B Q9Y4P1 1/20 0.62
PPARA Q07869 2/20 0.56
KMT2A Q03164 6/20 0.53
MEN1 O00255 4/20 0.53
RXFP1 Q9HBX9 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.50
GAA P10253 1/20 0.50
PPARD Q03181 1/20 0.49
NR1H3 Q13133 1/20 0.49
ALDH1A1 P00352 1/20 0.48
GFER P55789 1/20 0.48

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
SCHEMBL27570670 0.85 PLA2G1B (0.65) CA9SCN2ACA12CA1CA2
SCHEMBL10808030 0.82 SCN2A (0.76) CA9SCN2ACA12CA1CA2
SCHEMBL7904992 0.81 PLA2G1B (0.60) CA9SCN2ACA12CA1CA2
SCHEMBL9312976 0.81 CA9 (0.59) CA9SCN2ACA12CA1CA2
SCHEMBL31663432 0.80 CA9 (1.00) CA9SCN2ACA12CA1CA2
SCHEMBL481667 0.80 CA9 (1.00) CA9SCN2ACA12CA1CA2
SCHEMBL7898829 0.80 PLA2G1B (0.59) CA9SCN2ACA12CA1CA2
SCHEMBL4649471 0.79 KMT2A (0.78) CA9SCN2ACA12CA1CA2
SCHEMBL18132358 0.79 CA9 (0.71) CA9SCN2ACA12CA1CA2
SCHEMBL448847 0.77 KMT2A (0.64) CA9SCN2ACA12CA1CA2

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0564250-A2 Structured liquid detergent compositions containing amido and imido peroxy acids UNILEVER PLC (GB) 1993-10-06 EP claimed
US-5648521-A DECYCLIZATION, OXIDATION HOECHST AKTIENGESELLSCHAFT (DE) 1997-07-15 US disclosed
EP-0564250-A2 Structured liquid detergent compositions containing amido and imido peroxy acids UNILEVER PLC (GB) 1993-10-06 EP disclosed