SCHEMBL9679772

SCHEMBL9679772

C=C/C=C/OC(=O)OCC

nearest known ligand 0.48

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.48
SOAT1 P35610 1/20 0.44
LMNA P02545 1/20 0.36
HSD17B10 Q99714 1/20 0.36
ALOX15 P16050 1/20 0.34
MGAM O43451 1/20 0.34
GAA P10253 1/20 0.34
SI P14410 1/20 0.34
MGAM2 Q2M2H8 1/20 0.34
HCAR2 Q8TDS4 1/20 0.33
NPSR1 Q6W5P4 1/20 0.32
GLO1 Q04760 1/20 0.32
TRPA1 O75762 1/20 0.32
TSHR P16473 3/20 0.31
HPGD P15428 1/20 0.31
CYP2C19 P33261 1/20 0.31

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
SCHEMBL9679783 1.00 ALDH1A1 (0.48) ALDH1A1SOAT1LMNAHSD17B10ALOX15
SCHEMBL21809422 0.82 ALDH1A1 (0.63) ALDH1A1SOAT1LMNAHSD17B10ALOX15
SCHEMBL11488745 0.81 ALDH1A1 (0.50) ALDH1A1SOAT1LMNAHSD17B10ALOX15
SCHEMBL11488744 0.81 ALDH1A1 (0.50) ALDH1A1SOAT1LMNAHSD17B10ALOX15
SCHEMBL23929042 0.79
SCHEMBL896017 0.79
SCHEMBL28408387 0.79 ALDH1A1 (0.48) ALDH1A1SOAT1LMNAHSD17B10ALOX15
SCHEMBL166975 0.78
SCHEMBL6899782 0.78 ALDH1A1 (0.52) ALDH1A1SOAT1LMNAHSD17B10ALOX15
SCHEMBL28193205 0.78 TSHR (0.47) TSHR

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
US-5155240-A Process for producing optically active dihydropyran derivative TAKASAGO INTERNATIONAL CORPORATION (JP) 1992-10-13 US disclosed