SCHEMBL608307

SCHEMBL608307

C=C(C)C(=O)OCCCN(CC1CO1)CC1CO1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.55
TSHR P16473 3/20 0.45
THRB P10828 1/20 0.42
POLB P06746 1/20 0.36
APEX1 P27695 1/20 0.36
HTT P42858 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
CA1 P00915 1/20 0.32
CA2 P00918 1/20 0.32
CYP3A4 P08684 2/20 0.31
TP53 P04637 1/20 0.31
LMNA P02545 1/20 0.31
CYP1A2 P05177 1/20 0.31
CHRM2 P08172 1/20 0.31
HTR1A P08908 1/20 0.31
GAA P10253 1/20 0.31
CYP2D6 P10635 1/20 0.31
DRD3 P35462 1/20 0.31
SCN1A P35498 1/20 0.31
SLC6A3 Q01959 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
SCHEMBL611304 0.85 ALDH1A1 (0.42) ALDH1A1TSHRTHRBPOLBCYP3A4
SCHEMBL28346965 0.81 TSHR (0.60) ALDH1A1TSHRTHRBPOLBAPEX1
SCHEMBL970598 0.80 ALDH1A1 (0.64) ALDH1A1TSHRTHRBPOLBAPEX1
SCHEMBL4779336 0.78 ALDH1A1 (0.83) ALDH1A1TSHRTHRBPOLBAPEX1
SCHEMBL1357079 0.78 ALDH1A1 (0.62) ALDH1A1TSHRTHRBPOLBAPEX1
SCHEMBL610344 0.78 TSHR (0.49) ALDH1A1TSHRTHRBCYP3A4TP53
SCHEMBL9481747 0.77 ALDH1A1 (0.60) ALDH1A1TSHRTHRBPOLBAPEX1
SCHEMBL353873 0.77 ALDH1A1 (0.60) ALDH1A1TSHRTHRBPOLBAPEX1
SCHEMBL6663770 0.77 ALDH1A1 (0.60) ALDH1A1TSHRTHRBPOLBAPEX1
SCHEMBL491230 0.77 ALDH1A1 (0.60) ALDH1A1TSHRTHRBPOLBAPEX1

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 41 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10189987-B2 Pneumatic tire SUMITOMO RUBBER INDUSTRIES, LTD. (JP) 2019-01-29 US disclosed
EP-3064546-B1 PNEUMATIC TIRE SUMITOMO RUBBER IND (JP) 2018-08-29 EP disclosed
US-9932460-B2 Rubber composition and pneumatic tire SUMITOMO RUBBER INDUSTRIES, LTD. (JP) 2018-04-03 US disclosed
EP-2857446-B1 TREAD RUBBER COMPOSITION AND PNEUMATIC TIRE SUMITOMO RUBBER IND (JP) 2018-03-07 EP disclosed
US-9845385-B2 Rubber composition and pneumatic tire SUMITOMO RUBBER INDUSTRIES, LTD. (JP) 2017-12-19 US disclosed
US-9790359-B2 Tread rubber composition and pneumatic tire SUMITOMO RUBBER INDUSTRIES, LTD. (JP) 2017-10-17 US disclosed
CN-103450515-B Rubber compound used for studless tire and studless tire 住友橡胶工业株式会社 2017-05-24 CN disclosed
US-20160264772-A1 PNEUMATIC TIRE SUMITOMO RUBBER INDUSTRIES, LTD. (JP) 2016-09-15 US disclosed
EP-2674457-B1 RUBBER COMPOSITION AND PNEUMATIC TIRE SUMITOMO RUBBER IND (JP) 2016-09-14 EP disclosed
EP-3064546-A1 PNEUMATIC TIRE Sumitomo Rubber Industries, Ltd. (JP) 2016-09-07 EP disclosed
US-20130310512-A1 RUBBER COMPOSITION AND PNEUMATIC TIRE SUMITOMO RUBBER INDUSTRIES, LTD. (JP) 2013-11-21 US disclosed
US-20130303679-A1 RUBBER COMPOSITION AND PNEUMATIC TIRE SUMITOMO RUBBER INDUSTRIES, LTD. (JP) 2013-11-14 US disclosed
EP-2597115-A1 RUBBER COMPOSITION AND PNEUMATIC TIRE Sumitomo Rubber Industries, Ltd. (JP) 2013-05-29 EP disclosed
US-20130085226-A1 RUBBER COMPOSITION AND PNEUMATIC TIRE SUMITOMO RUBBER INDUSTRIES, LTD. (JP) 2013-04-04 US 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-20120149806-A1 RUBBER COMPOSITION AND PNEUMATIC TIRE SUMITOMO RUBBER INDUSTRIES, LTD. 2012-06-14 US disclosed
EP-2463310-A1 Rubber composition and pneumatic tire Sumitomo Rubber Industries, Ltd. (JP) 2012-06-13 EP 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-20110082251-A1 CONJUGATED DIENE POLYMER, CONJUGATED DIENE POLYMER COMPOSITION, AND METHOD FOR PRODUCING CONJUGATED DIENE POLYMER SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2011-04-07 US disclosed
US-20100056703-A1 CONJUGATED DIENE POLYMER, CONJUGATED DIENE POLYMER COMPOSITION, AND METHOD FOR PRODUCING CONJUGATED DIENE POLYMER SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2010-03-04 US disclosed