SCHEMBL22860845

SCHEMBL22860845

CCCCCc1cc(O)cc2c1C(=O)OC(C)(C)O2

nearest known ligand 0.69

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ TDP1 Q9NUW8 1/20 0.69
▸ L3MBTL1 Q9Y468 1/20 0.69
▸ KIF20B Q96Q89 2/20 0.47
▸ ACE2 Q9BYF1 1/20 0.46
▸ PTPN1 P18031 6/20 0.43
▸ ALOX5 P09917 4/20 0.40
▸ ACP1 P24666 2/20 0.40
▸ CDC25B P30305 2/20 0.40
▸ KDM4E B2RXH2 1/20 0.40
▸ PTGES O14684 1/20 0.40
▸ POLB P06746 1/20 0.40
▸ GAA P10253 1/20 0.40
▸ MAPT P10636 1/20 0.40
▸ RECQL P46063 1/20 0.40
▸ BLM P54132 1/20 0.40
▸ CENPE Q02224 1/20 0.40
▸ PTGS2 P35354 4/20 0.40
▸ CYP3A4 P08684 1/20 0.38
▸ GPR84 Q9NQS5 5/20 0.38

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
SCHEMBL9151323 0.99 TDP1 (0.67) TDP1L3MBTL1KIF20BACE2PTPN1
SCHEMBL22860858 0.85 TDP1 (0.51) TDP1L3MBTL1KIF20BACE2PTPN1
SCHEMBL29661452 0.85 TDP1 (0.51) TDP1L3MBTL1KIF20BACE2PTPN1
SCHEMBL22860852 0.83 TDP1 (0.55) TDP1L3MBTL1KIF20BACE2PTPN1
SCHEMBL29661466 0.83 TDP1 (0.55) TDP1L3MBTL1KIF20BACE2PTPN1
SCHEMBL22860829 0.83 TDP1 (0.49) TDP1L3MBTL1KIF20BACE2PTPN1
SCHEMBL9155082 0.75 ALDH1A1 (0.57) TDP1L3MBTL1PTPN1KDM4EPOLB
SCHEMBL9286375 0.73 CYP19A1 (0.53) TDP1L3MBTL1PTPN1KDM4EPOLB
SCHEMBL4923792 0.72 PTGS2 (0.61) TDP1ALOX5KDM4EMAPTPTGS2
SCHEMBL22860835 0.69 L3MBTL1 (0.46) TDP1L3MBTL1

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-2021000054-A1 CANNABINOID DERIVATIVES CANOPY GROWTH CORPORATION (CA) 2021-01-07 — — WO disclosed
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