SCHEMBL25877266

SCHEMBL25877266

CC1(C)c2ccccc2-c2ccc(N(c3ccc(-c4ccc5ccccc5c4)cc3)c3ccc(-c4ccc5oc6ccc7ccccc7c6c5c4)cc3)cc21

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABCG2 Q9UNQ0 6/20 0.33
LPL P06858 1/20 0.33
LIPG Q9Y5X9 1/20 0.33
PGR P06401 1/20 0.32
CASP3 P42574 1/20 0.31
SENP7 Q9BQF6 1/20 0.31
SENP6 Q9GZR1 1/20 0.31
KMT2A Q03164 2/20 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 3/20 0.31

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
SCHEMBL25877342 0.97 ABCG2 (0.33) ABCG2PGRCASP3SENP7SENP6
SCHEMBL9916436 0.97 ABCG2 (0.33) ABCG2PGRCASP3SENP7SENP6
SCHEMBL25875864 0.95 CASP3 (0.33) ABCG2LPLLIPGPGRCASP3
SCHEMBL25877262 0.95 ABCG2 (0.33) ABCG2PGRKMT2AAHRPAX8
SCHEMBL9916567 0.95 ABCG2 (0.35) ABCG2PGRKMT2AAHRPAX8
SCHEMBL9916574 0.94 ABCG2 (0.34) ABCG2PGRKMT2AAHRPAX8
SCHEMBL9916572 0.94 ABCG2 (0.34) ABCG2PGRKMT2AAHRPAX8
SCHEMBL9916408 0.94 ABCG2 (0.34) ABCG2PGRKMT2AAHRPAX8
SCHEMBL26489503 0.94 ABCG2 (0.33) ABCG2PGRKMT2AAHRPAX8
SCHEMBL25877330 0.93 CA12 (0.33) ABCG2KMT2ACHRNA1CHRNGCHRNB1

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