SCHEMBL30004436

SCHEMBL30004436

C=CC(=O)OCCCCOCCCCC(CC(=O)O)C(=O)O

nearest known ligand 0.51

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TSHR P16473 7/20 0.51
ALDH1A1 P00352 4/20 0.51
CYP3A4 P08684 2/20 0.51
TP53 P04637 3/20 0.47
HIF1A Q16665 3/20 0.47
HSD17B10 Q99714 1/20 0.47
HPGD P15428 1/20 0.44
FOLH1 Q04609 4/20 0.40
THRB P10828 2/20 0.35
MAPK1 P28482 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
HCAR2 Q8TDS4 2/20 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
SCHEMBL29448443 0.95 TSHR (0.56) TSHRALDH1A1CYP3A4TP53HIF1A
SCHEMBL19133682 0.91 TSHR (0.53) TSHRALDH1A1CYP3A4TP53HIF1A
SCHEMBL33753 0.84 TSHR (0.47) TSHRALDH1A1CYP3A4TP53HIF1A
Bromide SCHEMBL29948278 0.83 TSHR (0.46) TSHRALDH1A1CYP3A4TP53HIF1A
SCHEMBL31412838 0.82 FOLH1 (0.52) FOLH1MAPK1
SCHEMBL8995166 0.82 TSHR (0.55) TSHRALDH1A1CYP3A4TP53HIF1A
SCHEMBL29507133 0.82 TSHR (0.55) TSHRALDH1A1CYP3A4TP53HIF1A
Methyl Alcohol SCHEMBL27994591 0.81 TSHR (0.44) TSHRALDH1A1CYP3A4TP53HIF1A
SCHEMBL28535080 0.81 TSHR (0.50) TSHRALDH1A1CYP3A4TP53HIF1A
SCHEMBL8665338 0.80 TSHR (0.56) TSHRALDH1A1CYP3A4TP53HIF1A

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-109564385-B Photosensitive resin composition, cured product, interlayer insulating film, TFT active matrix substrate, and image display device 三菱化学株式会社 2022-12-09 CN disclosed