SCHEMBL22860858

SCHEMBL22860858

CCCCCc1cc(O)cc2c1C(=O)OC1(CCCC1)O2

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TDP1 Q9NUW8 1/20 0.51
▸ L3MBTL1 Q9Y468 1/20 0.51
▸ PTPN1 P18031 5/20 0.45
▸ ACP1 P24666 1/20 0.45
▸ CDC25B P30305 1/20 0.45
▸ KIF20B Q96Q89 2/20 0.44
▸ ACE2 Q9BYF1 1/20 0.42
▸ ESR1 P03372 1/20 0.41
▸ ESR2 Q92731 1/20 0.41
▸ ALDH1A1 P00352 1/20 0.39
▸ CRHBP P24387 1/20 0.39
▸ HTT P42858 1/20 0.39
▸ CRHR2 Q13324 1/20 0.39
▸ NPSR1 Q6W5P4 1/20 0.39
▸ KDM4E B2RXH2 1/20 0.38
▸ PTGES O14684 1/20 0.38
▸ POLB P06746 1/20 0.38
▸ GAA P10253 1/20 0.38
▸ MAPT P10636 1/20 0.38
▸ RECQL P46063 1/20 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
SCHEMBL29661452 1.00 TDP1 (0.51) TDP1L3MBTL1PTPN1ACP1CDC25B
SCHEMBL22860845 0.85 TDP1 (0.69) TDP1L3MBTL1PTPN1ACP1CDC25B
SCHEMBL9151323 0.84 TDP1 (0.67) TDP1L3MBTL1PTPN1ACP1CDC25B
SCHEMBL22860829 0.76 TDP1 (0.49) TDP1L3MBTL1PTPN1KIF20BACE2
SCHEMBL29661466 0.76 TDP1 (0.55) TDP1L3MBTL1PTPN1KIF20BACE2
SCHEMBL22860852 0.76 TDP1 (0.55) TDP1L3MBTL1PTPN1KIF20BACE2
SCHEMBL29717066 0.72 CNR1 (0.39) TDP1L3MBTL1PTPN1ACP1CDC25B
SCHEMBL22860892 0.72 CNR1 (0.39) TDP1L3MBTL1PTPN1ACP1CDC25B
SCHEMBL22860884 0.72 CNR1 (0.41) TDP1L3MBTL1PTPN1ACP1CDC25B
SCHEMBL22905119 0.70 CNR2 (0.52) 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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