SCHEMBL3356696

SCHEMBL3356696

C=Cc1ccc(C(C)(NCC(CC)CCCC)NCC(CC)CCCC)cc1

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.43
KDM4E B2RXH2 2/20 0.43
TSHR P16473 4/20 0.40
CYP3A4 P08684 2/20 0.40
LMNA P02545 2/20 0.40
TAS1R3 Q7RTX0 1/20 0.38
TAS1R1 Q7RTX1 1/20 0.38
HTT P42858 2/20 0.37
GLA P06280 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
CA2 P00918 1/20 0.33
TDP1 Q9NUW8 2/20 0.32
KMT2A Q03164 3/20 0.32
MEN1 O00255 2/20 0.32
SMN1; SMN2 Q16637 1/20 0.31
NPC1 O15118 1/20 0.31
RAB9A P51151 1/20 0.31
MAP4K1 Q92918 1/20 0.31
REN P00797 1/20 0.30

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
SCHEMBL13612671 0.75 TSHR (0.57) ALDH1A1KDM4ETSHRCYP3A4LMNA
SCHEMBL3356690 0.73 ALDH1A1 (0.40) ALDH1A1KDM4ETSHRCYP3A4LMNA
SCHEMBL20450347 0.73 TSHR (0.53) ALDH1A1KDM4ETSHRCYP3A4LMNA
SCHEMBL489052 0.72 BDKRB2 (0.39) ALDH1A1KDM4ETSHRCYP3A4LMNA
SCHEMBL18884969 0.69 LMNA (0.50) ALDH1A1KDM4ETSHRLMNATAS1R3
SCHEMBL25308890 0.69 ALDH1A1 (0.39) ALDH1A1KDM4ETSHRCYP3A4LMNA
SCHEMBL28207730 0.69 TDP1 (0.48) ALDH1A1KDM4ETSHRCYP3A4LMNA
Styrene SCHEMBL27694253 0.69 ALDH1A1 (0.43) ALDH1A1KDM4ETSHRCYP3A4LMNA
SCHEMBL8854159 0.69 ALDH1A1 (0.61) ALDH1A1KDM4ETSHRCYP3A4HTT
SCHEMBL22343043 0.68 ALDH1A1 (0.39) ALDH1A1KDM4ETSHRCYP3A4LMNA

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-20100099810-A1 POLYMER, RUBBER COMPOSITION AND TIRE USING THE SAME SUMITOMO RUBBER INDUSTRIES, LTD. (JP) 2010-04-22 US disclosed
US-20100099795-A1 RUBBER COMPOSITION AND TIRE 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