SCHEMBL28032480

SCHEMBL28032480

C=C(CCCCCCCCCC)c1ccc(CCCCCCCCCC)cc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
THRA P10827 10/20 0.61
THRB P10828 10/20 0.61
MEN1 O00255 2/20 0.57
KMT2A Q03164 2/20 0.57
ESR1 P03372 2/20 0.56
ADRA2A P08913 2/20 0.56
ADORA3 P0DMS8 2/20 0.56
TACR2 P21452 2/20 0.56
SLC6A2 P23975 2/20 0.56
SLC6A4 P31645 2/20 0.56
SLC6A3 Q01959 2/20 0.56
ALDH1A1 P00352 2/20 0.56
KDM4E B2RXH2 1/20 0.56
LMNA P02545 1/20 0.56
SHBG P04278 1/20 0.56
TP53 P04637 1/20 0.56
CYP3A4 P08684 1/20 0.56
HSPD1 P10809 1/20 0.56
ADRB3 P13945 1/20 0.56
HTR2C P28335 1/20 0.56

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
SCHEMBL14232474 0.86 THRA (0.45) THRATHRBMEN1KMT2ARARB
SCHEMBL10413954 0.85 THRB (0.49) THRATHRBMEN1KMT2AESR1
SCHEMBL19235338 0.85 RARB (0.55) THRATHRBMEN1KMT2AESR1
SCHEMBL7093881 0.83 THRA (0.58) THRATHRBMEN1KMT2AESR1
SCHEMBL6633874 0.83 THRA (0.48) THRATHRBMEN1KMT2AESR1
SCHEMBL19301820 0.82 THRA (0.44) THRATHRBMEN1KMT2AESR1
SCHEMBL20082930 0.82 THRA (0.57) THRATHRBMEN1KMT2AESR1
SCHEMBL2010661 0.81 L3MBTL1 (0.49) THRATHRBESR1ALDH1A1KDM4E
SCHEMBL7083684 0.81 THRA (0.65) THRATHRBMEN1KMT2AESR1
SCHEMBL8244845 0.81 THRA (0.65) THRATHRBMEN1KMT2AESR1

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