SCHEMBL28292545

SCHEMBL28292545

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

nearest known ligand 0.36

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CACNA2D1 P54289 2/20 0.33
RNPEP Q9H4A4 1/20 0.33
CACNB3 P54284 1/20 0.33
CACNA1C Q13936 1/20 0.33
PGR P06401 1/20 0.33
ADRA1A P35348 1/20 0.33
HTR2B P41595 1/20 0.33
CACNA2D2 Q9NY47 1/20 0.33
CTSK P43235 1/20 0.33
ALOX15 P16050 1/20 0.32
HSD17B10 Q99714 1/20 0.32
FOLH1 Q04609 6/20 0.31
TSHR P16473 1/20 0.31
MME P08473 1/20 0.30
ACE P12821 1/20 0.30
CPA1 P15085 1/20 0.30
ACE2 Q9BYF1 1/20 0.30
ALDH1A1 P00352 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
SCHEMBL8640307 0.91 CACNA2D1 (0.36) CACNA2D1RNPEPCACNB3CACNA1CPGR
SCHEMBL5175528 0.88 ALOX15 (0.36) CTSKALOX15HSD17B10MMEACE
SCHEMBL8462672 0.83 ALOX15 (0.33) ALOX15HSD17B10
SCHEMBL8638705 0.83 CACNA2D1 (0.31) CACNA2D1CACNB3CACNA1CPGRADRA1A
SCHEMBL18825736 0.82 ALOX15 (0.35) CACNA2D1RNPEPCACNB3CACNA1CPGR
SCHEMBL2518232 0.81 PRKCA (0.39) ADRA1ACTSKALOX15HSD17B10
SCHEMBL22230950 0.79 TSHR (0.47) RNPEPCTSKTSHRALDH1A1
SCHEMBL2119109 0.79 ALOX15 (0.35) ALOX15HSD17B10TSHRMMEACE
SCHEMBL8646623 0.78 TSHR (0.35) CACNA2D1RNPEPCACNB3CACNA1CPGR
SCHEMBL10695446 0.78 GPR84 (0.38) CTSK

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-109810589-A Light converts resin combination, light conversion layer folds substrate and image display device 东友精细化工有限公司 2019-05-28 CN disclosed