SCHEMBL12701673

SCHEMBL12701673

C=CCCCCCC(COC(=O)C=C)OC(=O)C=C

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 7/20 0.47
ALDH1A1 P00352 7/20 0.44
CYP3A4 P08684 5/20 0.44
MAPT P10636 4/20 0.44
USP2 O75604 3/20 0.44
SMN1; SMN2 Q16637 3/20 0.44
HPGD P15428 2/20 0.44
LMNA P02545 2/20 0.39
RECQL P46063 1/20 0.39
ABCC4 O15439 1/20 0.37
TP53 P04637 3/20 0.35
HIF1A Q16665 3/20 0.35
MAPK1 P28482 1/20 0.35
HSD17B10 Q99714 1/20 0.34
LPAR2 Q9HBW0 1/20 0.33
LPAR3 Q9UBY5 1/20 0.33
CYP2C9 P11712 1/20 0.33
PRKCE Q02156 1/20 0.31
PRKCQ Q04759 1/20 0.31
PRKCD Q05655 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
SCHEMBL12702118 1.00 TSHR (0.47) TSHRALDH1A1CYP3A4MAPTUSP2
SCHEMBL12702116 1.00 TSHR (0.47) TSHRALDH1A1CYP3A4MAPTUSP2
SCHEMBL12701675 0.94 TSHR (0.50) TSHRALDH1A1CYP3A4MAPTUSP2
SCHEMBL12702085 0.86 TSHR (0.61) TSHRALDH1A1CYP3A4MAPTUSP2
SCHEMBL31636142 0.84 TSHR (0.46) TSHRALDH1A1CYP3A4MAPTUSP2
SCHEMBL6558984 0.84 TSHR (0.56) TSHRALDH1A1CYP3A4MAPTHPGD
SCHEMBL29670992 0.84 TSHR (0.56) TSHRALDH1A1CYP3A4MAPTHPGD
SCHEMBL29486060 0.84 TSHR (0.56) TSHRALDH1A1CYP3A4MAPTHPGD
SCHEMBL29670997 0.84 TSHR (0.56) TSHRALDH1A1CYP3A4MAPTHPGD
SCHEMBL29670983 0.84 TSHR (0.56) TSHRALDH1A1CYP3A4MAPTHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8299191-B2 Shape memory polymers and process for preparing GEORGIA TECH RESEARCH CORP. (US) 2012-10-30 US disclosed
US-8299191-B2 Shape memory polymers and process for preparing GEORGIA TECH RESEARCH CORP. (US) 2012-10-30 US disclosed
WO-2011049879-A1 SHAPE MEMORY POLYMERS AND PROCESS FOR PREPARING GEORGIA TECH RESEARCH CORPORATION (US) 2011-04-28 WO disclosed
US-20110092652-A1 SHAPE MEMORY POLYMERS AND PROCESS FOR PREPARING GEORGIA TECH RESEARCH CORPORATION 2011-04-21 US disclosed
US-20110092652-A1 SHAPE MEMORY POLYMERS AND PROCESS FOR PREPARING GEORGIA TECH RESEARCH CORPORATION 2011-04-21 US disclosed