SCHEMBL28542503

SCHEMBL28542503

CC(C)(C)c1ccc(C2(O)CC=CC=C2c2ccccc2)cc1

nearest known ligand 0.36

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 1/20 0.34
GRIN2B Q13224 3/20 0.34
KIF11 P52732 1/20 0.31
MAPT P10636 2/20 0.31
L3MBTL1 Q9Y468 2/20 0.31
TDP1 Q9NUW8 1/20 0.31
OPRM1 P35372 1/20 0.31
OPRL1 P41146 1/20 0.31
NPC1 O15118 1/20 0.30
MAPK1 P28482 1/20 0.30
LMNA P02545 1/20 0.30
TYR P14679 1/20 0.30
RXRA P19793 1/20 0.30
RXRB P28702 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
SCHEMBL9704268 0.85 HDAC1 (0.34) OPRM1OPRL1
SCHEMBL28524770 0.81 OPRM1 (0.38) HSD11B1MAPTOPRM1OPRL1
SCHEMBL28527751 0.81 OPRM1 (0.43) MAPTL3MBTL1TDP1OPRM1OPRL1
SCHEMBL7853755 0.72 KDM4E (0.35) MAPTTDP1MAPK1
SCHEMBL27712623 0.71 TRPA1 (0.31) OPRM1OPRL1
SCHEMBL365627 0.70 ESR1 (0.32)
SCHEMBL3992253 0.70 ALDH1A1 (0.31)
Methane SCHEMBL28012238 0.69 ESR1 (0.31)
SCHEMBL28598865 0.69 OPRM1 (0.39) HSD11B1GRIN2BOPRM1OPRL1
SCHEMBL29402707 0.68 HPGD (0.36)

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
CN-112513051-A Compound and color conversion film comprising same 株式会社LG化学 2021-03-16 CN disclosed