SCHEMBL21454558

SCHEMBL21454558

CCc1ccc(C2(C)COc3c(ccc4c3CCC(C)(C)O4)C2O)c(OS(=O)(=O)c2ccc(C)cc2)c1

nearest known ligand 0.38

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ CNR1 P21554 4/20 0.38
▸ CNR2 P34972 4/20 0.38
▸ HSP90AA1 P07900 2/20 0.36
▸ PTPN1 P18031 4/20 0.36
▸ HTR6 P50406 1/20 0.33
▸ ALDH1A1 P00352 1/20 0.31
▸ LMNA P02545 1/20 0.31
▸ MAPT P10636 1/20 0.31
▸ HIF1A Q16665 1/20 0.31
▸ EPAS1 Q99814 1/20 0.31
▸ ABHD6 Q9BV23 1/20 0.30
▸ DAGLA Q9Y4D2 1/20 0.30

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
SCHEMBL22965236 0.92 CNR1 (0.38) CNR1CNR2HSP90AA1PTPN1HTR6
SCHEMBL21454331 0.82 CNR2 (0.35) CNR1CNR2HSP90AA1PTPN1
SCHEMBL22965202 0.81 PTPN1 (0.37) CNR1CNR2HSP90AA1PTPN1ALDH1A1
SCHEMBL23017896 0.80 CNR2 (0.33) CNR1CNR2HSP90AA1PTPN1
SCHEMBL21454332 0.77 CNR2 (0.36) CNR1CNR2HSP90AA1PTPN1HTR6
SCHEMBL22965225 0.72 PTPN1 (0.47) HSP90AA1PTPN1
SCHEMBL21454602 0.71 MALT1 (0.37) CNR2HSP90AA1PTPN1ALDH1A1LMNA
SCHEMBL22965224 0.66 PTPN1 (0.37) PTPN1
SCHEMBL22965205 0.65 MALT1 (0.37) CNR2HSP90AA1PTPN1MAPT
SCHEMBL3209301 0.63 GFER (0.57) PTPN1ALDH1A1LMNAMAPT

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-2019194582-A1 METHOD FOR SYNTHESIZING 3-PHENYL-2,8-DIHYDROPYRANO [2,3-F] CHROMENE DERIVATIVE 주식회사 글라세움 2019-10-10 — — WO disclosed
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