SCHEMBL2048641

SCHEMBL2048641

C=CCC1(CC=CCCCCCCCCCC)COC(C)(C)OC1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.39
FAAH O00519 4/20 0.36
TRPV1 Q8NER1 1/20 0.36
KMT2A Q03164 3/20 0.33
MEN1 O00255 2/20 0.33
CYP3A4 P08684 2/20 0.33
TERT O14746 3/20 0.33
PTPN1 P18031 3/20 0.33
PPARG P37231 3/20 0.33
PPARD Q03181 3/20 0.33
PPARA Q07869 3/20 0.33
CYP1A2 P05177 2/20 0.33
MAPT P10636 2/20 0.33
CYP2C19 P33261 2/20 0.33
BLM P54132 2/20 0.33
HSD17B10 Q99714 2/20 0.33
FABP4 P15090 2/20 0.33
GMNN O75496 1/20 0.33
USP2 O75604 1/20 0.33
LMNA P02545 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
SCHEMBL2050641 1.00 TSHR (0.39) TSHRFAAHTRPV1KMT2AMEN1
SCHEMBL2048639 1.00 TSHR (0.39) TSHRFAAHTRPV1KMT2AMEN1
SCHEMBL2048745 1.00 TSHR (0.39) TSHRFAAHTRPV1KMT2AMEN1
SCHEMBL2046197 1.00 TSHR (0.39) TSHRFAAHTRPV1KMT2AMEN1
SCHEMBL2050643 1.00 TSHR (0.39) TSHRFAAHTRPV1KMT2AMEN1
SCHEMBL2048747 1.00 TSHR (0.39) TSHRFAAHTRPV1KMT2AMEN1
SCHEMBL2046198 1.00 TSHR (0.39) TSHRFAAHTRPV1KMT2AMEN1
SCHEMBL2048479 1.00 TSHR (0.39) TSHRFAAHTRPV1KMT2AMEN1
SCHEMBL2048483 1.00 TSHR (0.39) TSHRFAAHTRPV1KMT2AMEN1
SCHEMBL2051433 0.98 TSHR (0.36) TSHRFAAHTRPV1KMT2AMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7964691-B2 5,5-diallyl-2,2-dimethyl-1,3-dioxane as monomer units; polymerization catalysts; heat resistance SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2011-06-21 US disclosed
WO-2009038006-A1 RANDOM COPOLYMER AND PRODUCTION PROCESS THEREOF SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2009-03-26 WO disclosed
WO-2009038031-A1 BLOCK COPOLYMER AND PRODUCTION PROCESS THEREOF SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2009-03-26 WO disclosed
US-20080214755-A1 OLEFIN-DIENE COPOLYMER AND PROCESS FOR PRODUCING THE SAME SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2008-09-04 US disclosed