SCHEMBL2050892

SCHEMBL2050892

C=CCC(CC=C)(C(=O)NCC(C)C)C(=O)NCC(C)C

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 1/20 0.43
CYP2C19 P33261 1/20 0.43
MMP1 P03956 2/20 0.38
MMP8 P22894 1/20 0.38
CNR2 P34972 4/20 0.33
PPARG P37231 2/20 0.33
PPARD Q03181 2/20 0.33
PPARA Q07869 2/20 0.33
CNR1 P21554 2/20 0.33
EPHX1 P07099 2/20 0.33
KMT2A Q03164 2/20 0.33
MAPT P10636 2/20 0.33
GAA P10253 1/20 0.33
HSD17B10 Q99714 1/20 0.33
MMP2 P08253 1/20 0.33
MMP3 P08254 1/20 0.33
MLYCD O95822 1/20 0.33
TAS1R3 Q7RTX0 1/20 0.33
TAS1R1 Q7RTX1 1/20 0.33
TAS1R2 Q8TE23 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
SCHEMBL2052082 0.78 FAAH (0.32) MMP1MMP8KMT2AMAPTMMP2
SCHEMBL2047446 0.76 TSHR (0.45) MMP1MMP8KMT2AGAAMMP2
SCHEMBL2051319 0.74 MMP1 (0.36) MMP1CNR1EPHX1KMT2AMMP2
SCHEMBL2044114 0.74 CCR2 (0.31)
SCHEMBL2049096 0.73 MMP1 (0.34) MMP1MMP2MMP3ALDH1A1
SCHEMBL2050934 0.72 EPHX1 (0.46) MMP1EPHX1MMP2ALDH1A1
SCHEMBL8932181 0.70 CYP2D6 (0.54) CYP2D6CYP2C19MMP1MMP8CNR2
SCHEMBL2051968 0.69 SMN1; SMN2 (0.33) MMP1EPHX1KMT2AMMP2MMP3
SCHEMBL2050301 0.69 EPHX1 (0.56) EPHX1KMT2AMEN1
SCHEMBL2052943 0.69

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-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
US-20080214755-A1 OLEFIN-DIENE COPOLYMER AND PROCESS FOR PRODUCING THE SAME SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2008-09-04 US disclosed
US-20080214754-A1 DIENE POLYMER AND PROCESS FOR PRODUCING THE SAME SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2008-09-04 US disclosed