SCHEMBL1589565

SCHEMBL1589565

CC(C)(c1ccccc1)c1ccc(-c2ccc(Br)c(Br)c2-c2ccc(C(C)(C)c3ccccc3)cc2)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 4/20 0.43
CNR2 P34972 4/20 0.43
ESR1 P03372 4/20 0.42
ESR2 Q92731 4/20 0.42
ALDH1A1 P00352 2/20 0.42
CYP3A4 P08684 2/20 0.42
NR3C2 P08235 3/20 0.35
MAPK1 P28482 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
KMT2A Q03164 3/20 0.31
MEN1 O00255 2/20 0.31
AR P10275 1/20 0.31
HPGD P15428 1/20 0.31
TSHR P16473 1/20 0.31
SLC6A2 P23975 1/20 0.31
SLC6A4 P31645 1/20 0.31
HTR6 P50406 1/20 0.31
ESRRG P62508 1/20 0.31
SLC6A3 Q01959 1/20 0.31
HSD17B10 Q99714 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
SCHEMBL66940 0.80 ALDH1A1 (0.50) ESR1ESR2ALDH1A1MAPK1KMT2A
SCHEMBL25921428 0.75 CNR1 (0.49) CNR1CNR2ESR1ESR2ALDH1A1
SCHEMBL25921429 0.73 CNR1 (0.48) CNR1CNR2ESR1ESR2ALDH1A1
SCHEMBL6456244 0.72 ESR1 (0.65) CNR1CNR2ESR1ESR2ALDH1A1
SCHEMBL18913698 0.70 ESR1 (0.62) CNR1CNR2ESR1ESR2ALDH1A1
SCHEMBL7535051 0.70 ESR1 (0.75) CNR1CNR2ESR1ESR2ALDH1A1
SCHEMBL1589566 0.69 ESR1 (0.38) ESR1ESR2
SCHEMBL9316472 0.68 ALDH1A1 (0.60) CNR1CNR2ESR1ESR2ALDH1A1
SCHEMBL25921488 0.68 CNR1 (0.40) CNR1CNR2ESR1ESR2ALDH1A1
SCHEMBL15832876 0.68 ALDH1A1 (0.58) CNR1CNR2ESR1ESR2ALDH1A1

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-8350000-B2 Polymer and copolymer and method of making the same NATIONAL TAIWAN UNIVERSITY OF SCIENCE AND TECHNOLOGY (TW) 2013-01-08 US disclosed
US-20110092657-A1 Novel Polymer and Copolymer and Method of Making the Same NATIONAL TAIWAN UNIVERSITY OF SCIENCE AND TECHNOLOY (TW) 2011-04-21 US disclosed