SCHEMBL12802005

SCHEMBL12802005

C=CCCCc1cc(CC)cc(CC)c1

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.42
ALDH1A1 P00352 1/20 0.42
HDAC1 Q13547 2/20 0.35
HDAC4 P56524 1/20 0.35
CBS P35520 1/20 0.34
PTGS2 P35354 3/20 0.33
GPR84 Q9NQS5 2/20 0.33
CYP3A4 P08684 1/20 0.33
TLR8 Q9NR97 1/20 0.33
NPC1 O15118 1/20 0.32
HPGD P15428 1/20 0.32
MAPK1 P28482 1/20 0.32
HTT P42858 1/20 0.32
RAB9A P51151 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32

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
SCHEMBL12802203 0.87 TSHR (0.48) TSHRALDH1A1HDAC1HDAC4PTGS2
SCHEMBL12802455 0.87 TSHR (0.54) TSHRALDH1A1PTGS2GPR84CYP3A4
SCHEMBL12802091 0.86 TSHR (0.38) TSHRALDH1A1PTGS2
SCHEMBL12802060 0.84 HDAC1 (0.41) TSHRALDH1A1HDAC1HDAC4TLR8
SCHEMBL8076236 0.83 TAAR1 (0.46) TSHRALDH1A1HDAC1HDAC4PTGS2
SCHEMBL12802140 0.80 TSHR (0.37) TSHRALDH1A1HDAC1HDAC4CBS
SCHEMBL12802164 0.80 TSHR (0.37) TSHRALDH1A1TLR8
SCHEMBL12802457 0.78 TSHR (0.48) TSHRALDH1A1PTGS2GPR84CYP3A4
SCHEMBL12802087 0.78 TSHR (0.37) TSHRALDH1A1HDAC1HDAC4CBS
SCHEMBL14316909 0.78 PTGS2 (0.42) CBSPTGS2GPR84CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9587042-B2 Process for producing modified conjugated diene-based polymer, modified conjugated diene-based polymer, and polymer composition SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2017-03-07 US disclosed
CN-102731722-B For the production of the method for modified conjugated diene polymer, modified conjugated diene polymer and polymer composition SUMITOMO CHEMICAL CO., LTD. (JP) 2016-03-16 CN disclosed
US-8933165-B2 Method for producing modified conjugated diene-based polymer, and method for producing polymer composition SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2015-01-13 US disclosed
US-8835564-B2 Method for producing modified conjugated diene-based polymer, and method for producing polymer composition SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2014-09-16 US disclosed
US-20140088256-A1 METHOD FOR PRODUCING MODIFIED CONJUGATED DIENE-BASED POLYMER, AND METHOD FOR PRODUCING POLYMER COMPOSITION ZEON CORPORATION (JP) 2014-03-27 US disclosed
US-20140088242-A1 METHOD FOR PRODUCING MODIFIED CONJUGATED DIENE-BASED POLYMER, AND METHOD FOR PRODUCING POLYMER COMPOSITION ZEON CORPORATION (JP) 2014-03-27 US disclosed
US-20120252966-A1 PROCESS FOR PRODUCING MODIFIED CONJUGATED DIENE-BASED POLYMER, MODIFIED CONJUGATED DIENE-BASED POLYMER, AND POLYMER COMPOSITION SUMITOMO CHEMICAL COMPANY, LIMITED 2012-10-04 US disclosed