SCHEMBL9719175

SCHEMBL9719175

CC(C)CC(C)OC(=O)C=CC(=O)OC(C)CC(C)C

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HCAR2 Q8TDS4 4/20 0.48
CYP19A1 P11511 1/20 0.39
KEAP1 Q14145 1/20 0.38
NFE2L2 Q16236 1/20 0.38
TSHR P16473 1/20 0.37
LAP3 P28838 4/20 0.36
RNPEP Q9H4A4 1/20 0.36
SLC7A5 Q01650 1/20 0.36
CACNA2D1 P54289 2/20 0.35
CACNB3 P54284 1/20 0.35
CACNA1C Q13936 1/20 0.35
PGR P06401 1/20 0.35
ADRA1A P35348 1/20 0.35
HTR2B P41595 1/20 0.35
CACNA2D2 Q9NY47 1/20 0.35
ANPEP P15144 3/20 0.34
ERAP1 Q9NZ08 1/20 0.34
MMP1 P03956 1/20 0.34
MMP2 P08253 1/20 0.34
MMP3 P08254 1/20 0.34

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
SCHEMBL3482499 1.00 HCAR2 (0.48) HCAR2CYP19A1KEAP1NFE2L2TSHR
SCHEMBL11741771 1.00 HCAR2 (0.48) HCAR2CYP19A1KEAP1NFE2L2TSHR
SCHEMBL3516990 0.93 HCAR2 (0.59) HCAR2CYP19A1KEAP1NFE2L2TSHR
SCHEMBL5848513 0.91 HCAR2 (0.63) HCAR2TSHRLAP3RNPEPSLC7A5
SCHEMBL3482497 0.91 HCAR2 (0.63) HCAR2TSHRLAP3RNPEPSLC7A5
SCHEMBL7778545 0.91 HCAR2 (0.42) HCAR2CYP19A1KEAP1NFE2L2TSHR
SCHEMBL3482501 0.91 HCAR2 (0.63) HCAR2TSHRLAP3RNPEPSLC7A5
SCHEMBL23116186 0.89 HCAR2 (0.39) HCAR2CYP19A1TSHRLAP3RNPEP
SCHEMBL273808 0.89 HCAR2 (0.39) HCAR2CYP19A1TSHRLAP3RNPEP
SCHEMBL273806 0.89 HCAR2 (0.39) HCAR2CYP19A1TSHRLAP3RNPEP

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5142009-A Crosslinked blend of fumaric acid diesters TOMEI SANGYO KABUSHIKI KAISHA (JP) 1992-08-25 US disclosed
US-4868260-A OXYGEN PERMEABILITY TOMEI SANGYO KABUSHIKI KAISHA (JP) 1989-09-19 US disclosed