SCHEMBL21344451

SCHEMBL21344451

CC1(C)c2cc(-c3c4ccccc4c(-c4ccccc4)c4ccccc34)ccc2-c2c1c1c(c3c2oc2ccccc23)-c2ccc(-c3ccc(-c4c5ccccc5c(-c5ccccc5)c5ccccc45)cc3)cc2C1(C)C

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDC14B O60729 2/20 0.34
CDC14A Q9UNH5 2/20 0.34
PLA2G2A P14555 4/20 0.33
PLA2G4A P47712 4/20 0.33
ALOX5 P09917 2/20 0.33
PLA2G10 O15496 1/20 0.32
ALK Q9UM73 1/20 0.31
CYP1A1 P04798 1/20 0.31
CYP1A2 P05177 1/20 0.31
CYP1B1 Q16678 1/20 0.31
L3MBTL1 Q9Y468 2/20 0.30
KDM4E B2RXH2 2/20 0.30
GAA P10253 2/20 0.30
HSD17B10 Q99714 2/20 0.30
MEN1 O00255 1/20 0.30
CYP3A4 P08684 1/20 0.30
ALPI P09923 1/20 0.30
MAPT P10636 1/20 0.30
PKM P14618 1/20 0.30
HPGD P15428 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
SCHEMBL21344439 1.00 CDC14B (0.34) CDC14BCDC14APLA2G2APLA2G4AALOX5
SCHEMBL21344490 0.99 PLA2G2A (0.35) CDC14BCDC14APLA2G2APLA2G4AALOX5
SCHEMBL21344434 0.98 PLA2G2A (0.34) CDC14BCDC14APLA2G2APLA2G4AALOX5
SCHEMBL21344312 0.98 CDC14B (0.35) CDC14BCDC14APLA2G2APLA2G4AALOX5
SCHEMBL21344435 0.96 CDC14B (0.33) CDC14BCDC14APLA2G2APLA2G4AALOX5
SCHEMBL21344456 0.95 PLA2G2A (0.34) CDC14BCDC14APLA2G2APLA2G4AALOX5
SCHEMBL21343965 0.95 PLA2G2A (0.34) CDC14BCDC14APLA2G2APLA2G4AALOX5
SCHEMBL21343245 0.94 ALOX5 (0.34) CDC14BCDC14AALOX5ALKCYP1A1
SCHEMBL21343982 0.94 CDC14B (0.33) CDC14BCDC14APLA2G2APLA2G4AALOX5
SCHEMBL21344441 0.94 ALOX5 (0.34) CDC14BCDC14AALOX5ALKCYP1A1

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-2019170578-A1 MATERIALS FOR ORGANIC ELECTROLUMINESCENT DEVICES MERCK PATENT GMBH (DE) 2019-09-12 WO disclosed