SCHEMBL28013433

SCHEMBL28013433

CCC(C)(C)OOC(CC(C)CC(=O)O)OOC(C)(C)CC

nearest known ligand 0.33

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
BHMT Q93088 1/20 0.32
CACNA2D1 P54289 2/20 0.30
CACNB3 P54284 1/20 0.30
CACNA1C Q13936 1/20 0.30
PGR P06401 1/20 0.30
ADRA1A P35348 1/20 0.30
HTR2B P41595 1/20 0.30
CACNA2D2 Q9NY47 1/20 0.30
FFAR1 O14842 1/20 0.30

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
SCHEMBL2027420 0.74 TDP1 (0.32)
SCHEMBL28955101 0.74 CYP1A2 (0.36)
SCHEMBL28488448 0.72 PGD (0.36) BHMTFFAR1
SCHEMBL18550211 0.70
SCHEMBL28013434 0.70 PGD (0.32)
SCHEMBL3318161 0.69 HMGCR (0.34) ADRA1AFFAR1
SCHEMBL14359978 0.69 CACNA2D1 (0.46) BHMTCACNA2D1CACNB3CACNA1CPGR
SCHEMBL21177928 0.68 ALDH1A1 (0.30)
SCHEMBL1230225 0.67 ALDH1A1 (0.39)
SCHEMBL6664658 0.67 MMP1 (0.32)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-103068870-B Conductive, mesophase-separated olefin multiblock copolymer compositions DOW GLOBAL TECHNOLOGIES LLC 2015-06-24 CN disclosed