SCHEMBL29068321

SCHEMBL29068321

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

nearest known ligand 0.35

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TSHR P16473 7/20 0.35
LMNA P02545 1/20 0.35
HPGD P15428 1/20 0.34
ALDH1A1 P00352 6/20 0.33
TP53 P04637 3/20 0.33
HIF1A Q16665 3/20 0.33
CYP3A4 P08684 2/20 0.33
HSD17B10 Q99714 1/20 0.33
THRB P10828 3/20 0.32
MAPK1 P28482 1/20 0.30
SMN1; SMN2 Q16637 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
SCHEMBL5144521 0.79 TSHR (0.42) TSHRLMNAHPGDALDH1A1TP53
SCHEMBL27179211 0.77 LMNA (0.40) TSHRLMNAHPGDALDH1A1TP53
SCHEMBL29212697 0.77 LMNA (0.40) TSHRLMNAHPGDALDH1A1TP53
SCHEMBL775246 0.76 ALDH1A1 (0.39) TSHRHPGDALDH1A1TP53HIF1A
SCHEMBL30211149 0.75 LMNA (0.38) TSHRLMNAHPGDALDH1A1TP53
SCHEMBL27657801 0.75 ALDH1A1 (0.43) TSHRLMNAHPGDALDH1A1TP53
SCHEMBL6140460 0.74 ALDH1A1 (0.38) TSHRHPGDALDH1A1TP53HIF1A
SCHEMBL3793391 0.74 ALDH1A1 (0.38) TSHRHPGDALDH1A1TP53HIF1A
Acetic Acid SCHEMBL27649268 0.74 ALDH1A1 (0.47) TSHRLMNAHPGDALDH1A1TP53
SCHEMBL65009 0.73 ALDH1A1 (0.46) TSHRLMNAHPGDALDH1A1TP53

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-116745027-A hollow particles 日本瑞翁株式会社 2023-09-12 CN disclosed