SCHEMBL25824896

SCHEMBL25824896

CC1(C)OB(c2c(-c3ccc4ccccc4c3)oc3ccccc23)OC1(C)C

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LPL P06858 2/20 0.55
LIPG Q9Y5X9 2/20 0.55
ABCG2 Q9UNQ0 5/20 0.36
ANO1 Q5XXA6 7/20 0.35
CYP3A4 P08684 5/20 0.34
HSD17B10 Q99714 4/20 0.34
KDM4E B2RXH2 4/20 0.34
CYP2C9 P11712 3/20 0.34
HPGD P15428 3/20 0.34
MEN1 O00255 3/20 0.34
TP53 P04637 3/20 0.34
MAPT P10636 3/20 0.34
KMT2A Q03164 3/20 0.34
ALDH1A1 P00352 3/20 0.34
TSHR P16473 2/20 0.34
CYP2D6 P10635 2/20 0.34
ALOX12 P18054 2/20 0.34
MAPK1 P28482 2/20 0.34
CYP2C19 P33261 2/20 0.34
CYP1A2 P05177 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
SCHEMBL29598398 0.83 LPL (0.47) LPLLIPGABCG2CYP3A4HSD17B10
SCHEMBL25824890 0.83 LPL (0.47) LPLLIPGABCG2CYP3A4HSD17B10
SCHEMBL29518753 0.78 LPL (0.60) LPLLIPGCYP3A4HSD17B10KDM4E
SCHEMBL1007854 0.78 LPL (0.60) LPLLIPGCYP3A4HSD17B10KDM4E
SCHEMBL22217401 0.77 LPL (0.58) LPLLIPGCYP3A4HSD17B10KDM4E
SCHEMBL2269326 0.75 LPL (0.40) LPLLIPGCYP3A4HSD17B10KDM4E
SCHEMBL15876264 0.74 HPGD (0.44) ABCG2CYP3A4HSD17B10KDM4ECYP2C9
SCHEMBL1006243 0.74 LIPG (0.58) LPLLIPGHSD17B10KDM4EHPGD
SCHEMBL28372455 0.73 KDM4E (0.40) LPLLIPGABCG2ANO1CYP3A4
SCHEMBL30112705 0.73 KDM4E (0.40) LPLLIPGABCG2ANO1CYP3A4

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-2023132488-A1 COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE COMPRISING SAME 주식회사 엘지화학 2023-07-13 WO disclosed