SCHEMBL21382833

SCHEMBL21382833

CC1(C)OB(c2ccc3c4c(cccc24)Sc2ccccc2-3)OC1(C)C

nearest known ligand 0.33

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
LPL P06858 2/20 0.33
LIPG Q9Y5X9 2/20 0.33
CRHBP P24387 1/20 0.33
CRHR2 Q13324 1/20 0.33
KEAP1 Q14145 1/20 0.33
NFE2L2 Q16236 1/20 0.33
ALOX5 P09917 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
SCHEMBL29709221 0.85 KEAP1 (0.46) LPLLIPGCRHBPCRHR2KEAP1
SCHEMBL961673 0.85 KEAP1 (0.46) LPLLIPGCRHBPCRHR2KEAP1
SCHEMBL30040842 0.85 KEAP1 (0.46) LPLLIPGCRHBPCRHR2KEAP1
SCHEMBL20598426 0.80 CRHBP (0.38) LPLLIPGCRHBPCRHR2KEAP1
SCHEMBL25263192 0.80 KEAP1 (0.43) LPLLIPGCRHBPCRHR2KEAP1
SCHEMBL12127199 0.79 ALDH1A1 (0.43) LPLLIPGCRHBPCRHR2KEAP1
SCHEMBL16553054 0.79 LPL (0.41) LPLLIPGCRHBPCRHR2KEAP1
SCHEMBL21382885 0.78 LIPG (0.39) LPLLIPG
SCHEMBL21313297 0.78 LPL (0.33) LPLLIPGCRHBPCRHR2KEAP1
SCHEMBL15396621 0.78 KDM4E (0.45) LPLLIPGCRHBPCRHR2KEAP1

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-2019182360-A1 COMPOUND, ORGANIC LIGHT-EMITTING DEVICE AND DISPLAY DEVICE 에스케이머티리얼즈 주식회사 2019-09-26 WO disclosed