SCHEMBL21344441

SCHEMBL21344441

CC1(C)c2cc(-c3c4ccccc4c(-c4ccccc4)c4ccccc34)ccc2-c2c1c1c(c3c2oc2ccccc23)-c2ccccc2C1(C)C

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 2/20 0.34
CDC14B O60729 2/20 0.33
CDC14A Q9UNH5 2/20 0.33
L3MBTL1 Q9Y468 2/20 0.30
ALK Q9UM73 1/20 0.30
CYP1A1 P04798 1/20 0.30
CYP1A2 P05177 1/20 0.30
CYP1B1 Q16678 1/20 0.30
KDM4E B2RXH2 1/20 0.30
MEN1 O00255 1/20 0.30
CYP3A4 P08684 1/20 0.30
ALPI P09923 1/20 0.30
GAA P10253 1/20 0.30
MAPT P10636 1/20 0.30
PKM P14618 1/20 0.30
HPGD P15428 1/20 0.30
CASP3 P42574 1/20 0.30
RECQL P46063 1/20 0.30
BLM P54132 1/20 0.30
CASP7 P55210 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
SCHEMBL21343245 1.00 ALOX5 (0.34) ALOX5CDC14BCDC14AL3MBTL1ALK
SCHEMBL21344437 0.97 ALOX5 (0.36) ALOX5CDC14BCDC14AL3MBTL1ALK
SCHEMBL21344312 0.97 CDC14B (0.35) ALOX5CDC14BCDC14AL3MBTL1ALK
SCHEMBL21343965 0.96 PLA2G2A (0.34) ALOX5CDC14BCDC14A
SCHEMBL21344456 0.96 PLA2G2A (0.34) ALOX5CDC14BCDC14A
SCHEMBL21344328 0.95 ALOX5 (0.33) ALOX5CDC14BCDC14AL3MBTL1
SCHEMBL21344444 0.95 ALOX5 (0.33) ALOX5CDC14BCDC14AL3MBTL1KDM4E
SCHEMBL21344315 0.95 ALOX5 (0.33) ALOX5CDC14BCDC14AL3MBTL1KDM4E
SCHEMBL21344439 0.94 CDC14B (0.34) ALOX5CDC14BCDC14AL3MBTL1ALK
SCHEMBL21344451 0.94 CDC14B (0.34) ALOX5CDC14BCDC14AL3MBTL1ALK

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