SCHEMBL17811599

SCHEMBL17811599

c1ccc(-c2ccc(-c3ccc(N(c4ccc(-c5ccccc5)cc4)c4ccc(-c5ccccc5-c5ccc(N(c6ccc(-c7ccccc7)c7ccccc67)c6ccc(-c7ccccc7)c7ccccc67)cc5)cc4)cc3)cc2)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RXRA P19793 1/20 0.40
RXRB P28702 1/20 0.40
RAB9A P51151 2/20 0.36
RCE1 Q9Y256 1/20 0.36
ALDH1A1 P00352 5/20 0.34
MAPT P10636 2/20 0.34
L3MBTL1 Q9Y468 2/20 0.34
KDM4E B2RXH2 1/20 0.34
CYP1A2 P05177 1/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2D6 P10635 1/20 0.34
CYP2C9 P11712 1/20 0.34
CYP2C19 P33261 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
PTGS2 P35354 1/20 0.33
MEN1 O00255 1/20 0.33
APAF1 O14727 1/20 0.33
NPC1 O15118 1/20 0.33
LMNA P02545 1/20 0.33
THRB P10828 1/20 0.33

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
SCHEMBL17811586 0.95 RXRA (0.44) RXRARXRBRAB9ARCE1ALDH1A1
SCHEMBL18232204 0.93 RXRA (0.45) RXRARXRBRAB9ARCE1ALDH1A1
SCHEMBL2604807 0.91 RXRA (0.44) RXRARXRBRAB9ARCE1ALDH1A1
SCHEMBL10135814 0.91 RXRA (0.44) RXRARXRBRAB9ARCE1ALDH1A1
SCHEMBL17690917 0.91 RXRA (0.44) RXRARXRBRAB9ARCE1ALDH1A1
SCHEMBL24154509 0.91 RXRA (0.44) RXRARXRBRAB9ARCE1ALDH1A1
SCHEMBL10136346 0.91 RXRA (0.44) RXRARXRBRAB9ARCE1ALDH1A1
SCHEMBL13903639 0.91 RXRA (0.46) RXRARXRBRAB9ARCE1ALDH1A1
SCHEMBL13903629 0.91 RXRA (0.46) RXRARXRBRAB9ARCE1ALDH1A1
SCHEMBL6374128 0.91 RXRA (0.46) RXRARXRBRAB9ARCE1ALDH1A1

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-20160163982-A1 ORGANIC ELECTROLUMINESCENT DEVICE SAMSUNG DISPLAY CO., LTD. (KR) 2016-06-09 US disclosed
US-20160163982-A1 ORGANIC ELECTROLUMINESCENT DEVICE SAMSUNG DISPLAY CO., LTD. (KR) 2016-06-09 US disclosed