SCHEMBL25899816

SCHEMBL25899816

C=Cc1cc(O)cc(C(=O)OC(C)(C)C)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 5/20 0.43
CA1 P00915 5/20 0.43
CA2 P00918 5/20 0.43
CA9 Q16790 5/20 0.43
CA14 Q9ULX7 5/20 0.43
CA7 P43166 4/20 0.43
MIF P14174 1/20 0.35
GABRA1 P14867 2/20 0.35
GABRG2 P18507 2/20 0.35
GABRB3 P28472 2/20 0.35
GABRA3 P34903 2/20 0.35
GABRA2 P47869 2/20 0.35
CA5A P35218 1/20 0.34
SLC7A5 Q01650 1/20 0.34
SERPINE1 P05121 2/20 0.33
EGFR P00533 1/20 0.32
P4HB P07237 1/20 0.32
ESR2 Q92731 1/20 0.32
GABRA5 P31644 1/20 0.32
GABRA4 P48169 1/20 0.32

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
SCHEMBL28886336 0.91 CA12 (0.38) CA12CA1CA2CA9CA14
SCHEMBL29246885 0.87 CA12 (0.41) CA12CA1CA2CA9CA14
SCHEMBL31646897 0.84 STAT3 (0.34) CA12CA1CA2CA9CA14
SCHEMBL4530957 0.84 CA12 (0.54) CA12CA1CA2CA9CA14
SCHEMBL39377 0.84 CA12 (0.59) CA12CA1CA2CA9CA14
SCHEMBL2996714 0.81 NOTUM (0.43) CA12CA1CA2CA9CA14
SCHEMBL23812276 0.80 LMNA (0.41) CA12CA1CA2CA9CA14
4-Vinylphenol SCHEMBL6903536 0.79 MIF (0.47) CA12CA1CA2CA9CA14
SCHEMBL31487534 0.79 SLC7A5 (0.48) CA12CA1CA2CA9CA14
SCHEMBL15496946 0.79 SLC7A5 (0.48) CA12CA1CA2CA9CA14

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
WO-2023140364-A1 RESIST COMPOSITION, METHOD FOR FORMING RESIST PATTERN, COMPOUND, AND POLYMER 東京応化工業株式会社 2023-07-27 WO disclosed