SCHEMBL2585984

SCHEMBL2585984

C=CCNC(C)CCCC

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ADH1B P00325 1/20 0.39
ADH1C P00326 1/20 0.39
ADH1A P07327 1/20 0.39
ADH4 P08319 1/20 0.39
ADH7 P40394 1/20 0.39
SLC6A4 P31645 1/20 0.39
ADRB2 P07550 8/20 0.38
ALDH1A1 P00352 4/20 0.37
TSHR P16473 4/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
MAPT P10636 1/20 0.37
FAAH O00519 1/20 0.36
GAA P10253 1/20 0.34
HPGD P15428 1/20 0.34
CYP3A4 P08684 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
SCHEMBL8645342 0.94 ADH1B (0.47) ADH1BADH1CADH1AADH4ADH7
SCHEMBL2330007 0.86
SCHEMBL17887504 0.83 SLC6A4 (0.39) SLC6A4ALDH1A1CYP3A4
SCHEMBL10834575 0.80 TSHR (0.39) ALDH1A1TSHRSMN1; SMN2MAPTFAAH
SCHEMBL11277100 0.79 SLC6A4 (0.37) SLC6A4
SCHEMBL4314997 0.77 SLC6A4 (0.41) SLC6A4TSHR
SCHEMBL6425683 0.77 ALDH1A1 (0.39) ADH1BADH1CADH1AADH4ADH7
SCHEMBL10833898 0.77 ALDH1A1 (0.36) ALDH1A1TSHRSMN1; SMN2MAPTFAAH
SCHEMBL18380192 0.77 ALDH1A1 (0.36) ALDH1A1TSHRSMN1; SMN2MAPTFAAH
SCHEMBL6186445 0.77 ALDH1A1 (0.36) ALDH1A1TSHRSMN1; SMN2MAPTFAAH

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 11 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
CN-104334629-B Rubber composition for tire tread and pneumatic tire 住友橡胶工业株式会社 2016-08-24 CN disclosed
CN-104603168-A Curable composition and image-forming method FUJIFILM CORP 2015-05-06 CN 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-8293832-B2 Conjugated diene polymer, conjugated diene polymer composition, and method for producing conjugated diene polymer SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2012-10-23 US disclosed
US-20110275755-A1 CONJUGATED DIENE POLYMER, CONJUGATED DIENE POLYMER COMPOSITION, AND METHOD FOR PRODUCING CONJUGATED DIENE POLYMER SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2011-11-10 US disclosed
CN-102234359-A Conjugated diene polymer, conjugated diene polymer composition, and method for producing conjugated diene polymer SUMITOMO CHEMICAL CO 2011-11-09 CN disclosed
US-7329663-B2 Substituted-triazolopyrimidines as anticancer agents WYETH (US) 2008-02-12 US disclosed