SCHEMBL3356359

SCHEMBL3356359

C=Cc1ccc(CC=NCCCCCCCC)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 1/20 0.40
CA2 P00918 1/20 0.40
ALDH1A1 P00352 3/20 0.36
THRB P10828 6/20 0.35
THRA P10827 5/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
ESR1 P03372 2/20 0.32
ADRA2A P08913 2/20 0.32
ADORA3 P0DMS8 2/20 0.32
TACR2 P21452 2/20 0.32
SLC6A2 P23975 2/20 0.32
SLC6A4 P31645 2/20 0.32
SLC6A3 Q01959 2/20 0.32
CYP3A4 P08684 2/20 0.32
KDM4E B2RXH2 1/20 0.32
LMNA P02545 1/20 0.32
SHBG P04278 1/20 0.32
TP53 P04637 1/20 0.32
HSPD1 P10809 1/20 0.32

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
SCHEMBL3357120 1.00 CA1 (0.40) CA1CA2ALDH1A1THRBTHRA
SCHEMBL609878 1.00 CA1 (0.40) CA1CA2ALDH1A1THRBTHRA
SCHEMBL610019 0.82 TP53 (0.37) ALDH1A1LMNATP53CYP2D6CYP2C9
SCHEMBL8405258 0.80 ALDH1A1 (0.49) CA1CA2ALDH1A1THRBMEN1
SCHEMBL8405255 0.80 ALDH1A1 (0.49) CA1CA2ALDH1A1THRBMEN1
SCHEMBL609246 0.80 ALDH1A1 (0.49) CA1CA2ALDH1A1THRBMEN1
SCHEMBL16033028 0.79 THRA (0.42) ALDH1A1THRBTHRAMEN1KMT2A
SCHEMBL22472344 0.78 CA1 (0.38) CA1CA2ALDH1A1THRBTHRA
Heptane SCHEMBL11256407 0.77 ALDH1A1 (0.58) CA1CA2ALDH1A1THRBTHRA
SCHEMBL349030 0.74 THRB (0.57) ALDH1A1THRBTHRAMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2177562-B1 Polymer, rubber composition and tire using the same SUMITOMO RUBBER IND (JP) 2014-05-14 EP disclosed
EP-2184318-B1 Rubber composition and tire SUMITOMO RUBBER IND (JP) 2014-03-19 EP disclosed
US-8431644-B2 Rubber composition and tire SUMITOMO RUBBER INDUSTRIES, LTD. (JP) 2013-04-30 US disclosed
EP-2182028-B1 Rubber composition and tire SUMITOMO RUBBER IND (JP) 2012-12-12 EP disclosed
EP-2184318-A2 Rubber composition and tire Sumitomo Rubber Industries, Ltd. (JP) 2010-05-12 EP disclosed
EP-2182028-A1 Rubber composition and tire Sumitomo Rubber Industries, Ltd. (JP) 2010-05-05 EP disclosed
US-20100105826-A1 RUBBER COMPOSITION AND TIRE SUMITOMO RUBBER INDUSTRIES, LTD. (JP) 2010-04-29 US disclosed
US-20100099795-A1 RUBBER COMPOSITION AND TIRE SUMITOMO RUBBER INDUSTRIES, LTD. (JP) 2010-04-22 US disclosed
US-20100099810-A1 POLYMER, RUBBER COMPOSITION AND TIRE USING THE SAME SUMITOMO RUBBER INDUSTRIES, LTD. (JP) 2010-04-22 US disclosed
EP-2177562-A2 Polymer, rubber composition and tire using the same Sumitomo Rubber Industries, Ltd. (JP) 2010-04-21 EP disclosed