SCHEMBL31208002

SCHEMBL31208002

COC(=O)c1cc(C)cc(O)c1

nearest known ligand 0.76

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CA12 O43570 5/20 0.76
▸ CA1 P00915 5/20 0.76
▸ CA2 P00918 5/20 0.76
▸ CA7 P43166 5/20 0.76
▸ CA9 Q16790 5/20 0.76
▸ CA14 Q9ULX7 5/20 0.76
▸ HCAR1 Q9BXC0 1/20 0.61
▸ CNR2 P34972 2/20 0.58
▸ KDM4E B2RXH2 3/20 0.55
▸ TDP1 Q9NUW8 2/20 0.55
▸ XDH P47989 2/20 0.55
▸ POLB P06746 2/20 0.55
▸ GAA P10253 2/20 0.55
▸ LMNA P02545 2/20 0.55
▸ NFKB1 P19838 1/20 0.55
▸ GFER P55789 1/20 0.55
▸ NFKB2 Q00653 1/20 0.55
▸ RELA Q04206 1/20 0.55
▸ FUT7 Q11130 1/20 0.55
▸ L3MBTL1 Q9Y468 1/20 0.55

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
SCHEMBL2259905 1.00 CA12 (0.76) CA12CA1CA2CA7CA9
Methyl 3,5-Dihydroxybenzoate SCHEMBL38869 0.87 CA1 (1.00) CA12CA1CA2CA7CA9
SCHEMBL46504 0.87 CA12 (0.91) CA12CA1CA2CA7CA9
SCHEMBL70232 0.87 ATM (0.61) CA12CA1CA2CA7CA9
Methyl 3,5-Dimethylbenzoate SCHEMBL334346 0.87 CNR2 (0.66) CA12CA1CA2CA7CA9
SCHEMBL10420428 0.82 CA12 (0.51) CA12CA1CA2CA7CA9
SCHEMBL27441040 0.82 HCAR1 (0.59) CA12CA1CA2CA7CA9
SCHEMBL8413906 0.81 CA1 (0.79) CA12CA1CA2CA7CA9
SCHEMBL2257945 0.80 CA12 (0.81) CA12CA1CA2CA7CA9
SCHEMBL3351858 0.79 ATM (0.53) CA12CA1CA2CA7CA9

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
EP-4702016-A1 PYRIMIDINE COMPOUNDS FOR THE CONTROL OF INVERTEBRATE PESTS BASF SE (DE) 2026-03-04 — — EP disclosed
WO-2024223373-A1 PYRIMIDINE COMPOUNDS FOR THE CONTROL OF INVERTEBRATE PESTS BASF SE (DE) 2024-10-31 — — WO disclosed
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