SCHEMBL29957560

SCHEMBL29957560

Cc1ccc2cc1OC(=O)CC(=O)O2

nearest known ligand 0.37

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CA12 O43570 3/20 0.34
CA9 Q16790 3/20 0.34
MEN1 O00255 3/20 0.31
MAPT P10636 3/20 0.31
KMT2A Q03164 3/20 0.31
ALDH1A1 P00352 3/20 0.31
THRB P10828 2/20 0.31
HPGD P15428 2/20 0.31
USP2 O75604 1/20 0.31
ALDH2 P05091 1/20 0.31
ALDH3A1 P30838 1/20 0.31
KDM4E B2RXH2 1/20 0.31

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
SCHEMBL15845286 0.81
SCHEMBL10631133 0.81
SCHEMBL18093469 0.73 TSHR (0.35)
SCHEMBL9773529 0.73 NOTUM (0.34)
SCHEMBL27671997 0.65 ALDH2 (0.40) CA12CA9MEN1MAPTKMT2A
SCHEMBL15763903 0.65 HPGD (0.38) CA12CA9MEN1MAPTKMT2A
SCHEMBL15763902 0.65 MAOA (0.46) CA12CA9HPGDKDM4E
SCHEMBL2056165 0.63 CA12 (0.48) CA12CA9ALDH1A1ALDH2
SCHEMBL21605346 0.63 MAPT (0.38) CA12CA9MEN1MAPTKMT2A
SCHEMBL31432603 0.63 CA12 (0.48) CA12CA9ALDH1A1ALDH2

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
CN-115120506-A Water-in-oil type cosmetic 富士胶片株式会社 2022-09-30 CN disclosed