SCHEMBL17944293

SCHEMBL17944293

c1ccc(-c2c3ccccc3c(-c3ccc4c(c3)oc3cc(-c5ccc6c(c5)oc5c7ccccc7c7ccccc7c65)ccc34)c3ccccc23)cc1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DYRK1A Q13627 1/20 0.36
ERAP1 Q9NZ08 1/20 0.35
MMP12 P39900 1/20 0.35
MMP13 P45452 1/20 0.35
AHR P35869 2/20 0.35
KDM4E B2RXH2 4/20 0.34
ALDH1A1 P00352 4/20 0.34
MEN1 O00255 3/20 0.34
MAPT P10636 3/20 0.34
HPGD P15428 3/20 0.34
KMT2A Q03164 3/20 0.34
GAA P10253 2/20 0.34
RECQL P46063 2/20 0.34
BLM P54132 2/20 0.34
MGAM O43451 1/20 0.34
NR1I2 O75469 1/20 0.34
LMNA P02545 1/20 0.34
ESR1 P03372 1/20 0.34
GLA P06280 1/20 0.34
POLB P06746 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
SCHEMBL16067711 0.96 ERAP1 (0.38) DYRK1AERAP1KDM4EALDH1A1MEN1
SCHEMBL17944785 0.95 AHR (0.38) DYRK1AMMP12MMP13AHRKDM4E
SCHEMBL16068046 0.94 PLA2G2A (0.35) DYRK1AERAP1AHRKDM4EALDH1A1
SCHEMBL16067723 0.94 ERAP1 (0.37) DYRK1AERAP1KDM4EALDH1A1MEN1
SCHEMBL17943893 0.94 ERAP1 (0.37) DYRK1AERAP1MMP12MMP13KDM4E
SCHEMBL17945197 0.93 PLA2G2A (0.38) DYRK1AERAP1MMP12MMP13AHR
SCHEMBL16068064 0.93 PLA2G2A (0.37) DYRK1AERAP1MMP12MMP13KDM4E
SCHEMBL17577237 0.93 PLA2G2A (0.36) DYRK1AERAP1MMP12MMP13KDM4E
SCHEMBL17577243 0.93 PLA2G2A (0.36) DYRK1AERAP1MMP12MMP13KDM4E
SCHEMBL17931981 0.92 ESR1 (0.37) ERAP1AHRKDM4EALDH1A1MEN1

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