SCHEMBL21382829

SCHEMBL21382829

CC1(C)OB(c2ccc3ccnc4c3c2-c2ccccc2S4)OC1(C)C

nearest known ligand 0.34

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.34
ALOX15 P16050 1/20 0.34
MAPK10 P53779 1/20 0.34
HSD17B10 Q99714 1/20 0.34
LPL P06858 1/20 0.30
LIPG Q9Y5X9 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
SCHEMBL21385075 0.83 ALDH1A1 (0.33) ALDH1A1ALOX15MAPK10HSD17B10
SCHEMBL21382847 0.81 LPL (0.35) LPLLIPG
SCHEMBL21382827 0.80
SCHEMBL21385118 0.74 LPL (0.37) LPLLIPG
SCHEMBL21382879 0.73 ALDH1A1 (0.38) ALDH1A1ALOX15MAPK10HSD17B10
SCHEMBL2229769 0.72 MAPK1 (0.41) ALDH1A1HSD17B10LPLLIPG
SCHEMBL21383183 0.71 LPL (0.30) LPLLIPG
SCHEMBL2400371 0.70 LPL (0.38) ALDH1A1HSD17B10LPLLIPG
SCHEMBL21382833 0.69 LPL (0.33) LPLLIPG
SCHEMBL21385095 0.66 IDO1 (0.34) ALDH1A1ALOX15MAPK10HSD17B10

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