SCHEMBL25872008

SCHEMBL25872008

CC1(C)c2ccccc2-c2ccc(-c3cccc(-c4ccc(-c5ccc6oc7cccc(-c8nc(-c9ccccc9)nc(-c9ccc(-c%10ccccc%10)cc9)n8)c7c6c5)cc4)c3)cc21

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDK2 Q15119 7/20 0.34
PLA2G2A P14555 4/20 0.34
PLA2G4A P47712 4/20 0.34
PLA2G10 O15496 1/20 0.34
GAA P10253 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
PRKDC P78527 1/20 0.33
PIM1 P11309 1/20 0.33
CSNK2A2 P19784 1/20 0.33
CSNK2B P67870 1/20 0.33
PIM3 Q86V86 1/20 0.33
PIM2 Q9P1W9 1/20 0.33
PGR P06401 1/20 0.32
ALDH1A1 P00352 2/20 0.31
MAPT P10636 2/20 0.31
MEN1 O00255 1/20 0.31
HPGD P15428 1/20 0.31
KMT2A Q03164 1/20 0.31
CASP3 P42574 1/20 0.31
SENP7 Q9BQF6 1/20 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
SCHEMBL22876377 1.00 PDK2 (0.34) PDK2PLA2G2APLA2G4APLA2G10GAA
SCHEMBL22876187 1.00 PDK2 (0.34) PDK2PLA2G2APLA2G4APLA2G10GAA
SCHEMBL19802171 1.00 PDK2 (0.34) PDK2PLA2G2APLA2G4APLA2G10GAA
SCHEMBL25872099 1.00 PDK2 (0.34) PDK2PLA2G2APLA2G4APLA2G10GAA
SCHEMBL26287349 1.00 PDK2 (0.34) PDK2PLA2G2APLA2G4APLA2G10GAA
SCHEMBL25730262 1.00 PDK2 (0.34) PDK2PLA2G2APLA2G4APLA2G10GAA
SCHEMBL25872229 1.00 PDK2 (0.34) PDK2PLA2G2APLA2G4APLA2G10GAA
SCHEMBL25872112 0.99 PDK2 (0.34) PDK2PLA2G2APLA2G4APLA2G10GAA
SCHEMBL24840723 0.99 PLA2G2A (0.35) PDK2PLA2G2APLA2G4APLA2G10GAA
SCHEMBL25871973 0.99 PDK2 (0.35) PDK2PLA2G2APLA2G4APLA2G10GAA

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-2023139034-A1 ORGANIC ELECTRIC ELEMENT WITH MIXED HOST SYSTEM MERCK PATENT GMBH (DE) 2023-07-27 WO disclosed