SCHEMBL28032482

SCHEMBL28032482

C=Cc1cc(CCCCCCCCCC)ccc1CCCCCCCCCC

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
THRA P10827 5/20 0.46
THRB P10828 5/20 0.46
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
TLR8 Q9NR97 3/20 0.45
ESR1 P03372 2/20 0.44
ADRA2A P08913 2/20 0.44
ADORA3 P0DMS8 2/20 0.44
TACR2 P21452 2/20 0.44
SLC6A2 P23975 2/20 0.44
SLC6A4 P31645 2/20 0.44
SLC6A3 Q01959 2/20 0.44
TP53 P04637 2/20 0.44
CYP3A4 P08684 2/20 0.44
KDM4E B2RXH2 1/20 0.44
ALDH1A1 P00352 1/20 0.44
LMNA P02545 1/20 0.44
SHBG P04278 1/20 0.44
HSPD1 P10809 1/20 0.44
ADRB3 P13945 1/20 0.44

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
SCHEMBL9786752 1.00 THRA (0.46) THRATHRBMEN1KMT2ATLR8
SCHEMBL1031286 1.00 THRA (0.46) THRATHRBMEN1KMT2ATLR8
SCHEMBL12802122 1.00 THRA (0.46) THRATHRBMEN1KMT2ATLR8
SCHEMBL5988777 0.98 THRB (0.45) THRATHRBMEN1KMT2ATLR8
SCHEMBL12802043 0.93 THRB (0.44) THRATHRBMEN1KMT2ATLR8
SCHEMBL15874933 0.87 TLR8 (0.48) THRATHRBMEN1KMT2ATLR8
SCHEMBL12802342 0.87 TLR8 (0.48) THRATHRBMEN1KMT2ATLR8
SCHEMBL15874748 0.87 TLR8 (0.48) THRATHRBMEN1KMT2ATLR8
SCHEMBL10532923 0.86 THRB (0.49) THRATHRBMEN1KMT2ATLR8
SCHEMBL10744390 0.86 THRB (0.49) THRATHRBMEN1KMT2ATLR8

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-105273204-A Block Copolymers, Their Manufacture And Their Use KRATON POLYMERS US LLC 2016-01-27 CN disclosed
CN-105061703-A Anion exchange block copolymers, their manufacture and their use KRATON POLYMERS US LLC 2015-11-18 CN disclosed
CN-104936990-A Anion exchange block copolymers, their manufacture and use KRATON POLYMERS US LLC 2015-09-23 CN disclosed