SCHEMBL610598

SCHEMBL610598

CC(=S)OCCCN(C)C

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 2/20 0.45
CA1 P00915 2/20 0.45
CA2 P00918 2/20 0.45
CA9 Q16790 2/20 0.45
GAA P10253 1/20 0.41
ALDH1A1 P00352 3/20 0.39
TSHR P16473 2/20 0.39
L3MBTL1 Q9Y468 1/20 0.38
CHRM2 P08172 1/20 0.37
CHRM4 P08173 1/20 0.37
CHRM5 P08912 1/20 0.37
CHRM1 P11229 1/20 0.37
CHRNB2 P17787 1/20 0.37
CHRM3 P20309 1/20 0.37
CHRNA4 P43681 1/20 0.37
SMN1; SMN2 Q16637 2/20 0.36
KDM4E B2RXH2 1/20 0.36
HRH3 Q9Y5N1 2/20 0.34
RAD52 P43351 1/20 0.34
LMNA P02545 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
SCHEMBL611757 0.85
SCHEMBL14464112 0.83 CA12 (0.46) CA12CA1CA2CA9GAA
SCHEMBL5475594 0.83 CA1 (0.58) CA12CA1CA2CA9GAA
SCHEMBL10666015 0.79 CA12 (0.43) CA12CA1CA2CA9GAA
SCHEMBL27525356 0.79 CA12 (0.46) CA12CA1CA2CA9ALDH1A1
SCHEMBL27431726 0.79 CA12 (0.40) CA12CA1CA2CA9ALDH1A1
SCHEMBL18280667 0.79 CA12 (0.39) CA12CA1CA2CA9GAA
SCHEMBL611273 0.77 CHRM2 (0.40) CA12CA1CA2CA9GAA
SCHEMBL26314 0.76 ALDH1A1 (0.56) GAAALDH1A1TSHRL3MBTL1CHRM2
SCHEMBL8071555 0.76 GAA (0.41) CA12CA1CA2CA9GAA

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 9 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
CN-104334629-A Tread rubber composition and pneumatic tire SUMITOMO RUBBER IND 2015-02-04 CN 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
US-4820815-A USEFUL AS ANTIBACTERIALS OR TO FORM FUSED BICYCLIC B-LACTAM ANTIBIOTICS LIKE CARBAPENEMS UNIVERSITY OF NOTRE DAME DU LAC (US) 1989-04-11 US disclosed
EP-0306266-A1 Azetidinone n-phosphonomethyl esters THE UNIVERSITY OF NOTRE DAME DU LAC (US) 1989-03-08 EP disclosed