SCHEMBL12802153

SCHEMBL12802153

C=CCCCc1c(CCC)cccc1CCC

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.41
ALDH1A1 P00352 2/20 0.41
TLR8 Q9NR97 1/20 0.36
USP2 O75604 1/20 0.35
HPGD P15428 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
LTB4R Q15722 1/20 0.33
LTB4R2 Q9NPC1 1/20 0.33
GRM5 P41594 1/20 0.33
THRA P10827 1/20 0.32
THRB P10828 1/20 0.32
HDAC4 P56524 1/20 0.32
HDAC1 Q13547 1/20 0.32
GABRA1 P14867 1/20 0.32
GABRB2 P47870 1/20 0.32
DAO P14920 1/20 0.31
BID P55957 3/20 0.31
BCL2L1 Q07817 3/20 0.31
MCL1 Q07820 3/20 0.31
BAK1 Q16611 3/20 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
SCHEMBL12802211 0.95 TSHR (0.40) TSHRALDH1A1TLR8USP2HPGD
SCHEMBL12802242 0.91 TSHR (0.45) TSHRALDH1A1TLR8USP2HPGD
SCHEMBL12802103 0.91 TSHR (0.45) TSHRALDH1A1TLR8USP2HPGD
SCHEMBL12802049 0.89 TSHR (0.37) TSHRALDH1A1USP2HPGDTDP1
SCHEMBL12802315 0.87 GABRA1 (0.39) TSHRALDH1A1TLR8USP2HPGD
SCHEMBL12802093 0.87 TSHR (0.36) TSHRALDH1A1HPGDLTB4RLTB4R2
SCHEMBL8077547 0.85 TLR8 (0.45) TSHRALDH1A1TLR8USP2HPGD
SCHEMBL12802543 0.84 TSHR (0.40) TSHRALDH1A1THRATHRBBID
SCHEMBL12802082 0.81 TSHR (0.41) TSHRALDH1A1THRATHRBBID
SCHEMBL12802676 0.80 TLR8 (0.39) TSHRALDH1A1TLR8USP2HPGD

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 8 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-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-20140088256-A1 METHOD FOR PRODUCING MODIFIED CONJUGATED DIENE-BASED POLYMER, AND METHOD FOR PRODUCING POLYMER COMPOSITION ZEON CORPORATION (JP) 2014-03-27 US disclosed
CN-102731722-A Process for producing modified conjugated diene-based polymer, modified conjugated diene-based polymer, and polymer composition SUMITOMO CHEMICAL CO 2012-10-17 CN 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