SCHEMBL22860829

SCHEMBL22860829

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

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TDP1 Q9NUW8 1/20 0.49
▸ L3MBTL1 Q9Y468 1/20 0.49
▸ KIF20B Q96Q89 2/20 0.45
▸ ACE2 Q9BYF1 1/20 0.41
▸ PTGES O14684 2/20 0.39
▸ KDM4E B2RXH2 1/20 0.39
▸ POLB P06746 1/20 0.39
▸ GAA P10253 1/20 0.39
▸ MAPT P10636 1/20 0.39
▸ RECQL P46063 1/20 0.39
▸ BLM P54132 1/20 0.39
▸ CENPE Q02224 1/20 0.39
▸ PTPN1 P18031 3/20 0.38
▸ ALOX5 P09917 4/20 0.36
▸ PTGS2 P35354 3/20 0.35
▸ BID P55957 3/20 0.34
▸ MCL1 Q07820 3/20 0.34
▸ BCL2L1 Q07817 2/20 0.34
▸ BAK1 Q16611 2/20 0.34
▸ KAT8 Q9H7Z6 2/20 0.34

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
SCHEMBL29661466 0.84 TDP1 (0.55) TDP1L3MBTL1KIF20BACE2PTGES
SCHEMBL22860852 0.84 TDP1 (0.55) TDP1L3MBTL1KIF20BACE2PTGES
SCHEMBL22860845 0.83 TDP1 (0.69) TDP1L3MBTL1KIF20BACE2PTGES
SCHEMBL9151323 0.82 TDP1 (0.67) TDP1L3MBTL1KIF20BACE2PTPN1
SCHEMBL22860858 0.76 TDP1 (0.51) TDP1L3MBTL1KIF20BACE2PTGES
SCHEMBL29661452 0.76 TDP1 (0.51) TDP1L3MBTL1KIF20BACE2PTGES
SCHEMBL29717107 0.74 CNR1 (0.36) TDP1L3MBTL1KIF20BBIDMCL1
SCHEMBL22860889 0.74 CNR1 (0.36) TDP1L3MBTL1KIF20BBIDMCL1
SCHEMBL22905133 0.73 CNR2 (0.53) TDP1L3MBTL1PPARGSLC6A2OPRM1
SCHEMBL22860888 0.70 CNR1 (0.39) TDP1L3MBTL1KIF20BBIDMCL1

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-3994129-A1 CANNABINOID DERIVATIVES Canopy Growth Corporation (CA) 2022-05-11 — — EP disclosed
WO-2021000054-A1 CANNABINOID DERIVATIVES CANOPY GROWTH CORPORATION (CA) 2021-01-07 — — WO disclosed
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