SCHEMBL23935957

SCHEMBL23935957

CC1(C)c2cc(-c3ccccc3)ccc2-c2ccc(-c3nc(-c4ccccc4)nc(-c4ccc5c(c4)oc4ccccc45)n3)cc2C1(C)C

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP12 P39900 1/20 0.38
MMP13 P45452 1/20 0.38
HCRTR1 O43613 1/20 0.37
AHR P35869 2/20 0.36
MEN1 O00255 4/20 0.35
KMT2A Q03164 4/20 0.35
MAPT P10636 3/20 0.35
ALDH1A1 P00352 3/20 0.35
HPGD P15428 2/20 0.35
KDM4E B2RXH2 1/20 0.35
GAA P10253 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
PLA2G2A P14555 2/20 0.35
PLA2G4A P47712 2/20 0.35
PGR P06401 1/20 0.35
TSHR P16473 1/20 0.34
PTGER4 P35408 1/20 0.34
NPC1 O15118 2/20 0.34
RAB9A P51151 2/20 0.34
PDK2 Q15119 1/20 0.34

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
SCHEMBL23936274 0.94 AHR (0.35) MMP12MMP13HCRTR1AHRMEN1
SCHEMBL23936124 0.93 MMP12 (0.35) MMP12MMP13HCRTR1AHRMEN1
SCHEMBL23936223 0.90 KMT2A (0.38) MMP12MMP13HCRTR1AHRMEN1
SCHEMBL22059159 0.90 HCRTR1 (0.37) MMP12MMP13HCRTR1AHRMEN1
SCHEMBL23936724 0.89 MMP12 (0.34) MMP12MMP13HCRTR1AHRMEN1
SCHEMBL23936248 0.87 KMT2A (0.38) MMP12MMP13HCRTR1AHRMEN1
SCHEMBL22243866 0.87 KMT2A (0.38) MMP12MMP13AHRMEN1KMT2A
SCHEMBL22059161 0.87 HCRTR1 (0.39) MMP12MMP13HCRTR1AHRMEN1
SCHEMBL19131187 0.87 KMT2A (0.38) MMP12MMP13AHRMEN1KMT2A
SCHEMBL15501747 0.87 HCRTR1 (0.36) MMP12MMP13HCRTR1AHRMEN1

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