SCHEMBL17944366

SCHEMBL17944366

CC1(C)c2ccc(-c3c4ccccc4c(-c4ccc5c(c4)oc4ccccc45)c4ccccc34)cc2-c2c1ccc1ccccc21

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HCRTR1 O43613 1/20 0.36
AHR P35869 2/20 0.35
MEN1 O00255 3/20 0.35
KMT2A Q03164 3/20 0.35
MAPT P10636 2/20 0.35
KDM4E B2RXH2 1/20 0.35
ALDH1A1 P00352 1/20 0.35
HPGD P15428 1/20 0.35
PGR P06401 2/20 0.34
DUSP3 P51452 1/20 0.33
ALK Q9UM73 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
ALOX5 P09917 1/20 0.31
ABCG2 Q9UNQ0 2/20 0.31
ABCB1 P08183 1/20 0.31
ABCC1 P33527 1/20 0.31
MMP12 P39900 1/20 0.31
MMP13 P45452 1/20 0.31
CA1 P00915 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
SCHEMBL17851541 0.93 HSP90AA1 (0.35) AHRMEN1KMT2AMAPTKDM4E
SCHEMBL17851575 0.92 CASP3 (0.36) AHRMEN1KMT2AMAPTKDM4E
SCHEMBL24285507 0.92 AHR (0.35) HCRTR1AHRMEN1KMT2AMAPT
SCHEMBL17851585 0.90 CASP3 (0.34) AHRMEN1KMT2AMAPTKDM4E
SCHEMBL17851547 0.90 CASP3 (0.34) AHRMEN1KMT2AMAPTKDM4E
SCHEMBL17851545 0.90 CASP3 (0.34) AHRMEN1KMT2AMAPTKDM4E
SCHEMBL17851593 0.89 PLA2G2A (0.36) MEN1KMT2AMAPTKDM4EALDH1A1
SCHEMBL17851550 0.89 PLA2G2A (0.36) MEN1KMT2AMAPTKDM4EALDH1A1
SCHEMBL17851534 0.89 PLA2G2A (0.36) MEN1KMT2AMAPTKDM4EALDH1A1
SCHEMBL17851526 0.89 PLA2G2A (0.36) MEN1KMT2AMAPTKDM4EALDH1A1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160218297-A1 ORGANIC LIGHT-EMITTING DEVICE SAMSUNG DISPLAY CO., LTD. (KR) 2016-07-28 US disclosed
US-20160218297-A1 ORGANIC LIGHT-EMITTING DEVICE SAMSUNG DISPLAY CO., LTD. (KR) 2016-07-28 US disclosed