SCHEMBL618084

SCHEMBL618084

C=CCN(CC=C)C(C)OC(C)=O

nearest known ligand 0.39

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.39
KMT2A Q03164 3/20 0.36
MEN1 O00255 2/20 0.36
CHRM2 P08172 1/20 0.35
CHRM4 P08173 1/20 0.35
CHRM1 P11229 1/20 0.35
TBXA2R P21731 1/20 0.35
MAPT P10636 2/20 0.34
GALR3 O60755 1/20 0.34
BLM P54132 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
ALDH1A1 P00352 2/20 0.32
KDM4E B2RXH2 1/20 0.31
TRPV1 Q8NER1 1/20 0.30

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
SCHEMBL505740 0.83 TSHR (0.40) TSHRKMT2AMEN1ALDH1A1
SCHEMBL278236 0.82 TSHR (0.42) TSHRKMT2AMEN1ALDH1A1KDM4E
SCHEMBL618745 0.77 TSHR (0.32) TSHRKMT2AMEN1MAPTALDH1A1
SCHEMBL609709 0.74 TSHR (0.46) TSHRKMT2AMEN1CHRM2CHRM4
SCHEMBL1083499 0.73 MEN1 (0.31) KMT2AMEN1
SCHEMBL616951 0.73 TSHR (0.49) TSHRKMT2AMEN1SMN1; SMN2ALDH1A1
Hydrochloric Acid SCHEMBL28375443 0.72 TSHR (0.44) TSHRKMT2ACHRM2CHRM4CHRM1
SCHEMBL9832205 0.71 MEN1 (0.31) KMT2AMEN1
SCHEMBL10361803 0.71 MEN1 (0.31) KMT2AMEN1
Bromide SCHEMBL11338644 0.70 MEN1 (0.33) KMT2AMEN1

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-9315608-B2 Conjugated diene polymer rubber, and conjugated diene polymer rubber composition SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2016-04-19 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-20140206811-A1 CONJUGATED DIENE POLYMER RUBBER, AND CONJUGATED DIENE POLYMER RUBBER COMPOSITION SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2014-07-24 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-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-20110237737-A1 CONJUGATED DIENE POLYMER RUBBER, AND CONJUGATED DIENE POLYMER RUBBER COMPOSITION SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2011-09-29 US disclosed