SCHEMBL29132463

SCHEMBL29132463

C=CC(=O)OCCCO.O=C(O)/C=C\C(=O)OCCCO

nearest known ligand 0.58

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HCAR2 Q8TDS4 8/20 0.58
TSHR P16473 6/20 0.57
ALDH1A1 P00352 4/20 0.57
CYP3A4 P08684 2/20 0.57
HPGD P15428 1/20 0.52
TP53 P04637 3/20 0.47
HIF1A Q16665 3/20 0.47
HSD17B10 Q99714 1/20 0.47
ATM Q13315 1/20 0.46
THRB P10828 2/20 0.40
MAPK1 P28482 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
APP P05067 2/20 0.36

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
SCHEMBL29185571 0.97 TSHR (0.63) HCAR2TSHRALDH1A1CYP3A4HPGD
Maleic Acid SCHEMBL2774692 0.96 TSHR (0.61) HCAR2TSHRALDH1A1CYP3A4HPGD
Fumaric Acid SCHEMBL2774701 0.96 TSHR (0.61) HCAR2TSHRALDH1A1CYP3A4HPGD
SCHEMBL29132461 0.91 TSHR (0.63) HCAR2TSHRALDH1A1CYP3A4HPGD
SCHEMBL447514 0.91 TSHR (0.69) HCAR2TSHRALDH1A1CYP3A4HPGD
SCHEMBL5393810 0.91 HCAR2 (0.63) HCAR2TSHRALDH1A1CYP3A4HPGD
SCHEMBL447515 0.91 TSHR (0.69) HCAR2TSHRALDH1A1CYP3A4HPGD
SCHEMBL5393799 0.91 HCAR2 (0.63) HCAR2TSHRALDH1A1CYP3A4HPGD
SCHEMBL8893359 0.91 TSHR (0.69) HCAR2TSHRALDH1A1CYP3A4HPGD
SCHEMBL217270 0.91 HCAR2 (0.68) HCAR2TSHRALDH1A1CYP3A4TP53

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-117203187-A Compound, curable composition, and cured product 株式会社ADEKA 2023-12-08 CN disclosed