SCHEMBL23398016

SCHEMBL23398016

CCCCC1C[C@H]1c1ccc(C2=Cc3ccc4c(c3OC2)C=CC(C)(C)O4)c(OS(=O)(=O)c2ccc(C)cc2)c1

nearest known ligand 0.35

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ CNR1 P21554 4/20 0.35
▸ CNR2 P34972 4/20 0.35
▸ TYR P14679 1/20 0.34
▸ ODC1 P11926 1/20 0.34
▸ TP53 P04637 2/20 0.33
▸ CYP3A4 P08684 2/20 0.33
▸ MAPT P10636 2/20 0.33
▸ CYP1A2 P05177 1/20 0.33
▸ HSP90AA1 P07900 1/20 0.33
▸ CYP2D6 P10635 1/20 0.33
▸ TSHR P16473 1/20 0.33
▸ CYP2C19 P33261 1/20 0.33
▸ SMN1; SMN2 Q16637 1/20 0.33
▸ ACHE P22303 1/20 0.32
▸ HIF1A Q16665 2/20 0.32
▸ EPAS1 Q99814 2/20 0.32
▸ BCHE P06276 1/20 0.32
▸ PTPN1 P18031 1/20 0.31

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
SCHEMBL20051750 0.86 CNR2 (0.40) CNR1CNR2TYRODC1TP53
SCHEMBL23398012 0.85 CNR2 (0.42) CNR1CNR2TYRODC1TP53
SCHEMBL21254269 0.85 TYR (0.37) CNR1CNR2TYRODC1TP53
SCHEMBL20051767 0.84 TYR (0.38) CNR1CNR2TYRODC1TP53
SCHEMBL20051692 0.83 TYR (0.39) CNR1CNR2TYRODC1TP53
SCHEMBL21254071 0.82 TYR (0.37) CNR1CNR2TYRODC1TP53
SCHEMBL21254262 0.82 TYR (0.38) CNR1CNR2TYRODC1TP53
SCHEMBL21254126 0.81 ACHE (0.41) TYRODC1TP53CYP3A4MAPT
SCHEMBL20051755 0.78 TYR (0.36) CNR2TYRODC1TP53CYP3A4
SCHEMBL21254166 0.74 TYR (0.37) TYRODC1TP53CYP3A4MAPT

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
EP-3524609-B1 PROCESS FOR THE PREPARATION OF 3-PHENYL-2,3,4,8,9,10-HEXAHYDROPYRANO[2,3-F]CHROMENE DERIVATIVES, OPTICAL ISOMERS THEREOF, AND INTERMEDIATES OF THE PROCESS GLACEUM INC (KR) 2021-05-26 — — EP disclosed
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