SCHEMBL21341024

SCHEMBL21341024

CC1(C)COB(c2ccc3cc4ccccc4cc3c2)O1

nearest known ligand 0.44

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
LPL P06858 3/20 0.44
LIPG Q9Y5X9 3/20 0.44
ALDH1A1 P00352 1/20 0.32
CYP3A4 P08684 1/20 0.32
ALOX15 P16050 1/20 0.32
CASP1 P29466 1/20 0.32
CASP7 P55210 1/20 0.32
HBB P68871 1/20 0.32
HIF1A Q16665 1/20 0.32
HSD17B10 Q99714 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
SNCA P37840 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
SCHEMBL24307019 0.87 LPL (0.38) LPLLIPGALDH1A1HIF1AHSD17B10
SCHEMBL22793668 0.85 LPL (0.39) LPLLIPGALDH1A1HIF1AHSD17B10
SCHEMBL29591332 0.79 LPL (0.39) LPLLIPGSNCA
SCHEMBL21710357 0.79 ALDH1A1 (0.43) ALDH1A1ALOX15CASP1HSD17B10
SCHEMBL13142480 0.78 LPL (0.68) LPLLIPG
SCHEMBL19905011 0.78 LPL (0.44) LPLLIPG
SCHEMBL18467899 0.78 LPL (0.44) LPLLIPG
SCHEMBL28521876 0.76 LIPG (0.61) LPLLIPGALDH1A1SNCA
SCHEMBL28495483 0.76
SCHEMBL22872147 0.75 LIPG (0.44) LPLLIPGHSD17B10

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-2019173243-A1 POLYCYCLIC AROMATIC COMPOUNDS AND METHODS FOR MAKING AND USING THE SAME BOARD OF REGENTS OF THE NEVADA SYSTEM OF HIGHER EDUCATION, ON BEHALF OF THE UNIVERSITY OF NEVADA, RENO (US) 2019-09-12 WO disclosed