SCHEMBL611273

SCHEMBL611273

CCN(CC)CCCOC(C)=S

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 2/20 0.40
CHRM4 P08173 2/20 0.40
CHRM1 P11229 2/20 0.40
CHRM3 P20309 2/20 0.40
SCN1A P35498 2/20 0.40
SCN2A Q99250 2/20 0.40
SCN3A Q9NY46 2/20 0.40
ALDH1A1 P00352 4/20 0.39
CYP2C9 P11712 1/20 0.39
HPGD P15428 1/20 0.39
HSD17B10 Q99714 1/20 0.39
CYP2D6 P10635 3/20 0.38
CYP3A4 P08684 3/20 0.38
BCHE P06276 1/20 0.38
HTR1A P08908 1/20 0.38
CHRM5 P08912 1/20 0.38
ADRA2C P18825 1/20 0.38
HRH2 P25021 1/20 0.38
HTR1D P28221 1/20 0.38
HTR2A P28223 1/20 0.38

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
SCHEMBL609250 0.86 ALDH1A1 (0.41) CHRM2CHRM4CHRM1CHRM3SCN1A
SCHEMBL611933 0.78 ALDH1A1 (0.58) CHRM2CHRM4CHRM1CHRM3SCN1A
SCHEMBL8073592 0.78 CHRM2 (0.40) CHRM2CHRM4CHRM1CHRM3SCN1A
SCHEMBL610598 0.77 CA12 (0.45) CHRM2CHRM4CHRM1CHRM3ALDH1A1
SCHEMBL438116 0.77 SCN1A (0.39) CHRM2CHRM4CHRM1CHRM3SCN1A
SCHEMBL618772 0.76 KDM4E (0.38) ALDH1A1MEN1KMT2AKDM4ESMN1; SMN2
SCHEMBL8399137 0.76 CHRM2 (0.47) CHRM2CHRM4CHRM1CHRM3SCN1A
SCHEMBL27431726 0.75 CA12 (0.40) ALDH1A1CA12CA1CA2CA9
SCHEMBL27525356 0.75 CA12 (0.46) ALDH1A1CYP3A4CA12CA1CA2
SCHEMBL28944093 0.75 ALDH1A1 (0.55) CHRM2CHRM4CHRM1CHRM3SCN1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2857446-B1 TREAD RUBBER COMPOSITION AND PNEUMATIC TIRE SUMITOMO RUBBER IND (JP) 2018-03-07 EP disclosed
US-9790359-B2 Tread rubber composition and pneumatic tire SUMITOMO RUBBER INDUSTRIES, LTD. (JP) 2017-10-17 US disclosed
US-20150099823-A1 TREAD RUBBER COMPOSITION AND PNEUMATIC TIRE SUMITOMO RUBBER INDUSTRIES, LTD. (JP) 2015-04-09 US disclosed
EP-2857446-A1 TREAD RUBBER COMPOSITION AND PNEUMATIC TIRE Sumitomo Rubber Industries, Ltd. (JP) 2015-04-08 EP disclosed
US-8334339-B2 Conjugated diene-based polymer, conjugated diene-based polymer composition, and process for producing conjugated diene-based polymer SUMITOMO CHEMICAL CO., LTD. (JP) 2012-12-18 US disclosed
US-20120041134-A1 CONJUGATED DIENE-BASED POLYMER, CONJUGATED DIENE-BASED POLYMER COMPOSITION, AND PROCESS FOR PRODUCING CONJUGATED DIENE-BASED POLYMER SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2012-02-16 US disclosed