SCHEMBL23936724

SCHEMBL23936724

CC1(C)c2cc(-c3ccccc3)ccc2-c2c(-c3nc(-c4ccccc4)nc(-c4ccc5c(c4)oc4ccccc45)n3)cccc2C1(C)C

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP12 P39900 1/20 0.34
MMP13 P45452 1/20 0.34
HCRTR1 O43613 1/20 0.32
PDK2 Q15119 1/20 0.32
PLA2G2A P14555 2/20 0.31
PLA2G4A P47712 2/20 0.31
AHR P35869 1/20 0.31
PGR P06401 1/20 0.31
ALOX5 P09917 1/20 0.31
MAPT P10636 5/20 0.30
MEN1 O00255 4/20 0.30
KMT2A Q03164 4/20 0.30
L3MBTL1 Q9Y468 2/20 0.30
GAA P10253 1/20 0.30
ALDH1A1 P00352 4/20 0.30
HPGD P15428 4/20 0.30
KDM4E B2RXH2 3/20 0.30
TSHR P16473 2/20 0.30
PTGER4 P35408 1/20 0.30
TERT O14746 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
SCHEMBL23936084 0.94 AHR (0.32) MMP12MMP13HCRTR1AHRPGR
SCHEMBL23936249 0.94 AHR (0.33) MMP12MMP13HCRTR1PDK2AHR
SCHEMBL23936466 0.92 TERT (0.32) PDK2PLA2G2APLA2G4AMAPTMEN1
SCHEMBL23935957 0.89 MMP12 (0.38) MMP12MMP13HCRTR1PDK2PLA2G2A
SCHEMBL23936274 0.88 AHR (0.35) MMP12MMP13HCRTR1PDK2AHR
SCHEMBL20465223 0.87 HCRTR1 (0.37) MMP12MMP13HCRTR1PDK2PLA2G2A
SCHEMBL22058560 0.87 HCRTR1 (0.34) MMP12MMP13HCRTR1PDK2AHR
SCHEMBL22309583 0.87 MEN1 (0.35) MMP12MMP13HCRTR1PLA2G2APLA2G4A
SCHEMBL23936438 0.87 PDK2 (0.40) PDK2PGRMAPTMEN1KMT2A
SCHEMBL23936198 0.87 PDK2 (0.40) PDK2PGRMAPTMEN1KMT2A

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
US-20210328150-A1 ORGANIC ELECTROLUMINESCENT COMPOUND, ORGANIC ELECTROLUMINESCENT MATERIAL COMPRISING THE SAME, AND ORGANIC ELECTROLUMINESCENT DEVICE DUPONT SPECIALTY MATERIALS KOREA LTD. (KR) 2021-10-21 US disclosed