SCHEMBL3356618

SCHEMBL3356618

C=Cc1ccc(CCNC(C)CCCCC)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
OPRK1 P41145 2/20 0.43
ADRB2 P07550 5/20 0.41
SIGMAR1 Q99720 5/20 0.41
LMNA P02545 2/20 0.41
KDM4E B2RXH2 2/20 0.41
MAPK1 P28482 2/20 0.41
SLC22A1 O15245 1/20 0.41
CA12 O43570 1/20 0.41
EGFR P00533 1/20 0.41
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
LCK P06239 1/20 0.41
FYN P06241 1/20 0.41
CA3 P07451 1/20 0.41
ADRB1 P08588 1/20 0.41
ADRA2A P08913 1/20 0.41
ADORA3 P0DMS8 1/20 0.41
DRD2 P14416 1/20 0.41

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
SCHEMBL3358147 0.99 HTT (0.44) HTTSMN1; SMN2OPRK1ADRB2SIGMAR1
SCHEMBL3359355 0.90 HTT (0.49) HTTSMN1; SMN2OPRK1ADRB2SIGMAR1
SCHEMBL3356678 0.83 SIGMAR1 (0.45) HTTSMN1; SMN2OPRK1ADRB2SIGMAR1
SCHEMBL9617576 0.78 LMNA (0.42) HTTSMN1; SMN2OPRK1ADRB2SIGMAR1
SCHEMBL20244253 0.77 SIGMAR1 (0.62) SMN1; SMN2SIGMAR1LMNACYP1A2CYP2D6
SCHEMBL3356581 0.77 TAS1R3 (0.48) HTTSMN1; SMN2OPRK1ADRB2SIGMAR1
SCHEMBL492085 0.76 THRB (0.56) LMNAKDM4EEGFRCA2LCK
SCHEMBL11254287 0.76 SIGMAR1 (0.60) SMN1; SMN2SIGMAR1LMNATSHRTHRA
Hydrochloric Acid SCHEMBL7060610 0.75 SIGMAR1 (0.58) SMN1; SMN2SIGMAR1LMNACYP1A2CYP2D6
SCHEMBL21444968 0.75 S1PR1 (0.47) LMNAKDM4EEGFRLCKADRA2A

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