SCHEMBL3356690

SCHEMBL3356690

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

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.40
TSHR P16473 4/20 0.40
CYP3A4 P08684 2/20 0.40
KDM4E B2RXH2 1/20 0.40
LMNA P02545 1/20 0.40
GLA P06280 1/20 0.37
HTT P42858 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
TAS1R3 Q7RTX0 1/20 0.35
TAS1R1 Q7RTX1 1/20 0.35
BDKRB2 P30411 1/20 0.33
TDP1 Q9NUW8 2/20 0.32
CA2 P00918 2/20 0.32
CA1 P00915 1/20 0.32
MEN1 O00255 1/20 0.31
NPC1 O15118 1/20 0.31
RAB9A P51151 1/20 0.31
KMT2A Q03164 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
SCHEMBL489052 0.84 BDKRB2 (0.39) ALDH1A1TSHRCYP3A4KDM4ELMNA
SCHEMBL18884969 0.74 LMNA (0.50) ALDH1A1TSHRKDM4ELMNAGLA
SCHEMBL5033232 0.74 ALDH1A1 (0.46) ALDH1A1TSHRTAS1R3TAS1R1TDP1
SCHEMBL28407916 0.73 BDKRB2 (0.40) ALDH1A1TAS1R3TAS1R1BDKRB2CA2
SCHEMBL3356696 0.73 ALDH1A1 (0.43) ALDH1A1TSHRCYP3A4KDM4ELMNA
SCHEMBL14889314 0.72 MAPT (0.36) ALDH1A1TSHRCYP3A4KDM4ELMNA
SCHEMBL19821750 0.72 TSHR (0.42) ALDH1A1TSHRCYP3A4KDM4ELMNA
SCHEMBL13612671 0.72 TSHR (0.57) ALDH1A1TSHRCYP3A4KDM4ELMNA
SCHEMBL30120525 0.71 BDKRB2 (0.62) ALDH1A1TAS1R3TAS1R1BDKRB2CA2
SCHEMBL10964953 0.70 ALDH1A1 (0.56) ALDH1A1TSHRCYP3A4KDM4EGLA

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