SCHEMBL25876999

SCHEMBL25876999

CC1(C)c2ccccc2-c2cc(N(c3ccc(-c4ccc5ccccc5c4)cc3)c3ccc4oc5ccc6ccccc6c5c4c3)ccc21

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABCG2 Q9UNQ0 7/20 0.33
LPL P06858 1/20 0.33
LIPG Q9Y5X9 1/20 0.33
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 4/20 0.31
PTGER3 P43115 1/20 0.30
PAX8 Q06710 2/20 0.30
NPC1 O15118 1/20 0.30
RAB9A P51151 1/20 0.30
TDP1 Q9NUW8 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
SCHEMBL25875463 0.95 LPL (0.32) ABCG2LPLLIPGPTGER3
SCHEMBL26037620 0.93 LPL (0.32) ABCG2LPLLIPGCHRNA1CHRNG
SCHEMBL25875571 0.93 CASP3 (0.33) ABCG2LPLLIPGPTGER3
SCHEMBL25877115 0.93 ABCG2 (0.31) ABCG2LPLLIPG
SCHEMBL25876399 0.92 LPL (0.32) ABCG2LPLLIPGCHRNA1CHRNG
SCHEMBL25877266 0.92 ABCG2 (0.33) ABCG2LPLLIPGCHRNA1CHRNG
SCHEMBL25877060 0.92 AHR (0.35) ABCG2AHRPAX8NPC1RAB9A
SCHEMBL25877066 0.91 CA12 (0.33) ABCG2CHRNA1CHRNGCHRNB1CHRNB2
SCHEMBL26489511 0.91 ABCG2 (0.33) ABCG2AHRPAX8NPC1RAB9A
SCHEMBL26489503 0.90 ABCG2 (0.33) ABCG2AHRPAX8NPC1RAB9A

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