SCHEMBL4354554

SCHEMBL4354554

C=CCCCCC(C#N)CCCCCCCCC

nearest known ligand 0.61

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.61
ALDH1A1 P00352 2/20 0.48
ABCG2 Q9UNQ0 2/20 0.36
PTGS1 P23219 1/20 0.36
PPARG P37231 1/20 0.36
OPRK1 P41145 1/20 0.36
USP2 O75604 2/20 0.34
CYP3A4 P08684 2/20 0.34
MAPT P10636 1/20 0.34
HPGD P15428 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
PLA2G2C Q5R387 1/20 0.34
TRPA1 O75762 1/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
CACNA2D1 P54289 1/20 0.33
CACNB2 Q08289 1/20 0.33
CACNA1C Q13936 1/20 0.33

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
SCHEMBL31590958 1.00 TSHR (0.61) TSHRALDH1A1ABCG2PTGS1PPARG
SCHEMBL3124622 0.96 TSHR (0.56) TSHRALDH1A1ABCG2PTGS1PPARG
SCHEMBL3112778 0.96 TSHR (0.56) TSHRALDH1A1ABCG2PTGS1PPARG
SCHEMBL3118524 0.96 TSHR (0.56) TSHRALDH1A1ABCG2PTGS1PPARG
Benzene SCHEMBL27880268 0.95 TSHR (0.55) TSHRALDH1A1ABCG2PTGS1PPARG
SCHEMBL3108944 0.94 TSHR (0.52) TSHRALDH1A1ABCG2PTGS1PPARG
SCHEMBL3127320 0.92 TSHR (0.50) TSHRALDH1A1ABCG2PTGS1PPARG
SCHEMBL3112131 0.92 TSHR (0.50) TSHRALDH1A1ABCG2PTGS1PPARG
SCHEMBL3108005 0.92 TSHR (0.50) TSHRALDH1A1ABCG2PTGS1PPARG
SCHEMBL3116402 0.90 TSHR (0.46) TSHRALDH1A1ABCG2PTGS1PPARG

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8487071-B2 Polyether polymer and production process thereof SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2013-07-16 US disclosed
US-20110065889-A1 POLYETHER POLYMER AND PRODUCTION PROCESS THEREOF SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2011-03-17 US disclosed
WO-2009142094-A1 POLYETHER POLYMER AND PRODUCTION PROCESS THEREOF SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2009-11-26 WO disclosed