SCHEMBL29108682

SCHEMBL29108682

C=CCOC(=O)C1CCCCC1C(=O)OC

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.42
GAA P10253 1/20 0.42
TP53 P04637 2/20 0.42
CYP3A4 P08684 1/20 0.42
NPSR1 Q6W5P4 1/20 0.38
TSHR P16473 3/20 0.36
POLB P06746 1/20 0.36
MAPK1 P28482 1/20 0.36
SLC6A2 P23975 2/20 0.36
CYP19A1 P11511 1/20 0.36
SLC6A4 P31645 1/20 0.36
CHRM2 P08172 1/20 0.36
CHRM4 P08173 1/20 0.36
CHRM3 P20309 1/20 0.36
MAPT P10636 2/20 0.35
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35
KMT2A Q03164 1/20 0.34
CACNA1B Q00975 1/20 0.34
APBA1 Q02410 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
SCHEMBL987648 0.91 CYP3A4 (0.48) ALDH1A1GAATP53CYP3A4NPSR1
SCHEMBL1220674 0.84 TP53 (0.43) ALDH1A1GAATP53CYP3A4TSHR
SCHEMBL9769692 0.83 CYP3A4 (0.42) ALDH1A1GAATP53CYP3A4NPSR1
SCHEMBL3290514 0.83 EPHX1 (0.44) ALDH1A1GAATP53CYP3A4NPSR1
SCHEMBL1220980 0.82 MAPT (0.38) ALDH1A1GAATSHRPOLBMAPK1
SCHEMBL1220982 0.82 MAPT (0.38) ALDH1A1GAATSHRPOLBMAPK1
SCHEMBL27351320 0.81 PEPD (0.42) ALDH1A1GAATP53CYP3A4TSHR
SCHEMBL10896885 0.80 TP53 (0.40) ALDH1A1TP53CYP3A4NPSR1SLC6A2
SCHEMBL11514730 0.79 CHRM2 (0.48) TP53CYP3A4POLBSLC6A2SLC6A4
SCHEMBL3687870 0.79 TSHR (0.46) ALDH1A1TP53CYP3A4TSHRMAPK1

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
CN-117677891-A Curable resin composition for use in sealing material for film liquid crystal panel, and film liquid crystal panel sealed at end portion with the curable resin composition 日油株式会社 2024-03-08 CN disclosed
CN-116897314-A Curable resin composition for sealing material for film liquid crystal panel and film liquid crystal panel with end sealed by the curable resin composition 日油株式会社 2023-10-17 CN disclosed