SCHEMBL2051147

SCHEMBL2051147

C=CCC(CC=C)(C(=O)NCc1ccccc1)C(=O)NCc1ccccc1

nearest known ligand 0.53

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
RIPK1 Q13546 1/20 0.53
MMP8 P22894 2/20 0.49
ALDH1A1 P00352 3/20 0.47
CYP2D6 P10635 2/20 0.47
CYP2C19 P33261 2/20 0.47
LMNA P02545 1/20 0.47
GAA P10253 1/20 0.46
OPRK1 P41145 1/20 0.46
SMN1; SMN2 Q16637 2/20 0.45
MMP1 P03956 1/20 0.45
MMP2 P08253 1/20 0.45
MMP9 P14780 1/20 0.45
TSHR P16473 2/20 0.45
CYP2C9 P11712 2/20 0.45
KMT2A Q03164 2/20 0.45
MEN1 O00255 1/20 0.45
CYP1A2 P05177 1/20 0.45
EPHX1 P07099 1/20 0.44

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
SCHEMBL2044492 0.91 HTT (0.49) RIPK1MMP8ALDH1A1CYP2D6CYP2C19
SCHEMBL2044949 0.90 RIPK1 (0.48) RIPK1MMP8ALDH1A1CYP2D6CYP2C19
SCHEMBL2044951 0.90 RIPK1 (0.48) RIPK1MMP8ALDH1A1CYP2D6CYP2C19
SCHEMBL19832628 0.84 RIPK1 (0.50) RIPK1MMP8ALDH1A1CYP2D6CYP2C19
SCHEMBL2047140 0.83 RIPK1 (0.44) RIPK1MMP8ALDH1A1CYP2D6CYP2C19
SCHEMBL2047137 0.83 RIPK1 (0.44) RIPK1MMP8ALDH1A1CYP2D6CYP2C19
SCHEMBL2051018 0.76 TGM2 (0.52) MMP8ALDH1A1SMN1; SMN2MMP1MMP2
SCHEMBL7438658 0.75 RIPK1 (0.68) RIPK1MMP8ALDH1A1CYP2D6CYP2C19
SCHEMBL29257176 0.74 GAA (0.59) ALDH1A1CYP2D6CYP2C19LMNAGAA
SCHEMBL30780840 0.73 ALDH1A1 (0.61) RIPK1MMP8ALDH1A1CYP2D6CYP2C19

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