SCHEMBL29668458

SCHEMBL29668458

CC(C)Cc1ccc(-c2c3ccc(=O)cc-3oc3cc(O)ccc23)c(C(=O)O)c1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ USP2 O75604 3/20 0.68
▸ L3MBTL1 Q9Y468 1/20 0.68
▸ MEN1 O00255 2/20 0.57
▸ POLB P06746 2/20 0.57
▸ KMT2A Q03164 2/20 0.57
▸ ALPL P05186 1/20 0.57
▸ ALPI P09923 1/20 0.57
▸ ALPG P10696 1/20 0.57
▸ CA9 Q16790 14/20 0.57
▸ ATM Q13315 1/20 0.55
▸ PLEC Q15149 1/20 0.55
▸ ESR1 P03372 1/20 0.55
▸ CA1 P00915 12/20 0.55
▸ CA2 P00918 12/20 0.55
▸ CA12 O43570 4/20 0.55
▸ CA14 Q9ULX7 3/20 0.55
▸ CA7 P43166 3/20 0.53
▸ DNASE1L3 Q13609 1/20 0.51
▸ PRMT1 Q99873 1/20 0.51
▸ ALB P02768 1/20 0.49

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
SCHEMBL18383481 1.00 USP2 (0.68) USP2L3MBTL1MEN1POLBKMT2A
SCHEMBL18211419 0.93 USP2 (0.61) USP2L3MBTL1MEN1POLBKMT2A
SCHEMBL10060092 0.89 USP2 (0.72) USP2L3MBTL1MEN1POLBKMT2A
SCHEMBL20056705 0.87 USP2 (0.69) USP2L3MBTL1MEN1POLBKMT2A
SCHEMBL14619875 0.87 USP2 (0.72) USP2L3MBTL1MEN1POLBKMT2A
SCHEMBL13369020 0.87 USP2 (0.75) USP2L3MBTL1MEN1POLBKMT2A
SCHEMBL12637647 0.85 USP2 (0.72) USP2L3MBTL1MEN1POLBKMT2A
SCHEMBL23318855 0.84 USP2 (0.66) USP2L3MBTL1MEN1POLBKMT2A
SCHEMBL18211437 0.83 USP2 (0.48) USP2L3MBTL1MEN1POLBKMT2A
SCHEMBL10098714 0.83 USP2 (0.76) USP2L3MBTL1MEN1POLBKMT2A

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-110947429-B Esterification catalyst composition, esterification method and selective esterification method 万华化学集团股份有限公司 2022-07-12 — — CN disclosed
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