SCHEMBL25089072

SCHEMBL25089072

CC1(C)c2ccccc2-c2ccc(-c3ccccc3N(c3ccc(-c4ccc5ccccc5c4)cc3)c3ccc(-c4cccc5c4ccc4ccccc45)cc3)cc21

nearest known ligand 0.32

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 3/20 0.32
CA1 P00915 3/20 0.32
CA2 P00918 3/20 0.32
CA9 Q16790 3/20 0.32
LPL P06858 1/20 0.32
LIPG Q9Y5X9 1/20 0.32
PIM1 P11309 1/20 0.31
SLC6A2 P23975 2/20 0.31
SLC6A4 P31645 2/20 0.31
SLC6A3 Q01959 2/20 0.31
CNR2 P34972 1/20 0.31
PDK2 Q15119 2/20 0.31
ENPP3 O14638 1/20 0.31
ENPP1 P22413 1/20 0.31
CHRNB4 P30926 2/20 0.30
CHRNA3 P32297 2/20 0.30
CHRNA7 P36544 1/20 0.30
CHRNA1 P02708 1/20 0.30
CHRNG P07510 1/20 0.30
CHRNB1 P11230 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
SCHEMBL25088241 1.00 CA12 (0.32) CA12CA1CA2CA9LPL
SCHEMBL25089046 0.97 CA12 (0.33) CA12CA1CA2CA9SLC6A2
SCHEMBL25088253 0.95 CA12 (0.33) CA12CA1CA2CA9SLC6A2
SCHEMBL25089178 0.95 ENPP1 (0.34) CA12CA1CA2CA9SLC6A2
SCHEMBL25089380 0.94 CA12 (0.34) CA12CA1CA2CA9LPL
SCHEMBL23448205 0.93 LPL (0.32) LPLLIPGSLC6A2SLC6A4SLC6A3
SCHEMBL27048446 0.93 LPL (0.32) LPLLIPG
SCHEMBL25088642 0.92 CA12 (0.33) CA12CA1CA2CA9SLC6A2
SCHEMBL23239336 0.92 CA12 (0.34) CA12CA1CA2CA9SLC6A2
SCHEMBL26060015 0.92 LPL (0.32) LPLLIPG

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-2023027173-A1 COMPOUND, ORGANIC ELECTROLUMINESCENT ELEMENT MATERIAL, ORGANIC ELECTROLUMINESCENT ELEMENT, AND ELECTRONIC DEVICE 出光興産株式会社 2023-03-02 WO disclosed