SCHEMBL22720360

SCHEMBL22720360

CC1(C)OB(c2ccc3cccc(-c4ccc(O)cc4)c3c2)OC1(C)C

nearest known ligand 0.51

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
LIPG Q9Y5X9 9/20 0.51
LPL P06858 8/20 0.51
IRAK4 Q9NWZ3 1/20 0.38
TLR8 Q9NR97 1/20 0.37
CDK4 P11802 1/20 0.37
CCND1 P24385 1/20 0.37
ESR1 P03372 1/20 0.36
ESR2 Q92731 1/20 0.36
PRMT5 O14744 1/20 0.36
WDR77 Q9BQA1 1/20 0.36
APP P05067 1/20 0.36
IDO1 P14902 1/20 0.36
TDO2 P48775 1/20 0.36
EGFR P00533 1/20 0.35
PDGFRB P09619 1/20 0.35
KDR P35968 1/20 0.35
ABL1 P00519 1/20 0.34
ABCB1 P08183 1/20 0.34
BCR P11274 1/20 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
SCHEMBL25799122 0.88 LIPG (0.55) LIPGLPLIRAK4PRMT5WDR77
SCHEMBL22685318 0.85 LIPG (0.51) LIPGLPLIRAK4PRMT5WDR77
SCHEMBL27254964 0.84 LIPG (0.66) LIPGLPLIRAK4PRMT5WDR77
SCHEMBL22065319 0.84 LIPG (0.48) LIPGLPLIRAK4ESR2PRMT5
SCHEMBL22720362 0.83 LIPG (0.49) LIPGLPLIRAK4PRMT5WDR77
SCHEMBL24377085 0.82 LIPG (0.63) LIPGLPLIRAK4PRMT5WDR77
SCHEMBL25799140 0.82 LIPG (0.66) LIPGLPLIRAK4PRMT5WDR77
SCHEMBL27254806 0.81 LIPG (0.61) LIPGLPLIRAK4PRMT5WDR77
SCHEMBL31069015 0.80 LIPG (0.60) LIPGLPL
SCHEMBL190941 0.80 LIPG (0.60) LIPGLPL

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-2020239123-A1 AROMATIC HETEROCYCLIC DERIVATIVE MODULATOR AND PREPARATION METHOD THEREFOR AND USE THEREOF 上海翰森生物医药科技有限公司 2020-12-03 WO disclosed