SCHEMBL3356581

SCHEMBL3356581

C=Cc1ccc(CCNC(CC)CCC)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TAS1R3 Q7RTX0 1/20 0.48
TAS1R1 Q7RTX1 1/20 0.48
SIGMAR1 Q99720 4/20 0.41
KMT2A Q03164 2/20 0.35
MEN1 O00255 1/20 0.35
HTT P42858 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
PAX8 Q06710 1/20 0.34
ADRB2 P07550 2/20 0.34
LMNA P02545 2/20 0.34
HIF1A Q16665 2/20 0.34
SLC6A2 P23975 2/20 0.34
SLC6A4 P31645 2/20 0.34
OPRM1 P35372 2/20 0.34
OPRK1 P41145 2/20 0.34
CYP2D6 P10635 1/20 0.34
GALR3 O60755 1/20 0.34
ADRB1 P08588 1/20 0.34
ADRA1A P35348 1/20 0.34
SLC6A3 Q01959 1/20 0.34

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
SCHEMBL3359355 0.83 HTT (0.49) TAS1R3TAS1R1SIGMAR1KMT2AMEN1
SCHEMBL3356678 0.80 SIGMAR1 (0.45) SIGMAR1HTTSMN1; SMN2ADRB2LMNA
SCHEMBL9617576 0.77 LMNA (0.42) TAS1R3TAS1R1SIGMAR1HTTSMN1; SMN2
SCHEMBL3356618 0.77 HTT (0.46) TAS1R3TAS1R1SIGMAR1HTTSMN1; SMN2
SCHEMBL3358147 0.75 HTT (0.44) SIGMAR1KMT2AMEN1HTTSMN1; SMN2
SCHEMBL19066624 0.74 TAS1R3 (0.49) TAS1R3TAS1R1SIGMAR1KMT2AMEN1
SCHEMBL3358821 0.74 SIGMAR1 (0.44) TAS1R3TAS1R1SIGMAR1ALDH1A1
SCHEMBL15921250 0.74 ALDH1A1 (0.41) TAS1R3TAS1R1SIGMAR1KMT2ASMN1; SMN2
SCHEMBL52038 0.72 ALDH1A1 (0.52) TAS1R3TAS1R1KMT2AMEN1ALDH1A1
SCHEMBL11148737 0.72 ALDH1A1 (0.42) TAS1R3TAS1R1SIGMAR1TMEM97ALDH1A1

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