SCHEMBL25877194

SCHEMBL25877194

CC1(C)c2ccccc2-c2ccc(N(c3ccc(-c4ccc5ccccc5c4)cc3)c3ccc4c(c3)oc3ccc5ccccc5c34)cc21

nearest known ligand 0.32

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ABCG2 Q9UNQ0 5/20 0.32
LPL P06858 1/20 0.32
LIPG Q9Y5X9 1/20 0.32
PGR P06401 1/20 0.32
CYP1A1 P04798 1/20 0.31
CYP1B1 Q16678 1/20 0.31
KMT2A Q03164 1/20 0.31
CHRNA1 P02708 1/20 0.31
CHRNG P07510 1/20 0.31
CHRNB1 P11230 1/20 0.31
CHRNB2 P17787 1/20 0.31
SLC6A2 P23975 1/20 0.31
CHRNB4 P30926 1/20 0.31
SLC6A4 P31645 1/20 0.31
CHRNA3 P32297 1/20 0.31
CHRNA4 P43681 1/20 0.31
SLC6A3 Q01959 1/20 0.31
CHRND Q07001 1/20 0.31
AHR P35869 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
SCHEMBL26037941 0.94 LPL (0.32) ABCG2LPLLIPGPGRCHRNA1
SCHEMBL25876624 0.93 LPL (0.32) ABCG2LPLLIPGPGRCHRNA1
SCHEMBL25877261 0.93 ABCG2 (0.34) ABCG2PGRCYP1A1KMT2AAHR
SCHEMBL25877266 0.93 ABCG2 (0.33) ABCG2LPLLIPGPGRCYP1A1
SCHEMBL25877329 0.93 ABCG2 (0.31) ABCG2LPLLIPG
SCHEMBL25876766 0.92 HCRTR1 (0.33) PGR
SCHEMBL25877452 0.92 ABCG2 (0.31) ABCG2KMT2AAHR
SCHEMBL25875864 0.92 CASP3 (0.33) ABCG2LPLLIPGPGR
SCHEMBL25875790 0.92 LPL (0.32) ABCG2LPLLIPGPGR
SCHEMBL26489800 0.92 AHR (0.34) ABCG2CYP1A1KMT2AAHR

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-2023132694-A1 ORGANIC LIGHT-EMITTING DEVICE 주식회사 엘지화학 2023-07-13 WO disclosed