SCHEMBL28869238

SCHEMBL28869238

C=CC(=O)OCCCO.C=CO

nearest known ligand 0.68

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 7/20 0.68
▸ ALDH1A1 P00352 5/20 0.68
▸ CYP3A4 P08684 2/20 0.68
▸ HPGD P15428 1/20 0.61
▸ TP53 P04637 3/20 0.56
▸ HIF1A Q16665 3/20 0.56
▸ HSD17B10 Q99714 1/20 0.56
▸ MAPK1 P28482 1/20 0.45
▸ SMN1; SMN2 Q16637 1/20 0.45
▸ THRB P10828 2/20 0.42
▸ ATM Q13315 1/20 0.39
▸ HCAR2 Q8TDS4 3/20 0.34
▸ APP P05067 2/20 0.34
▸ ACHE P22303 3/20 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
SCHEMBL26117 0.96 — —
SCHEMBL2851828 0.96 TSHR (0.74) TSHRALDH1A1CYP3A4HPGDTP53
Formic Acid SCHEMBL27845139 0.94 TSHR (0.65) TSHRALDH1A1CYP3A4HPGDTP53
Hydroxyl Radical SCHEMBL28140965 0.93 TSHR (0.71) TSHRALDH1A1CYP3A4HPGDTP53
SCHEMBL28524911 0.93 TSHR (0.71) TSHRALDH1A1CYP3A4HPGDTP53
SCHEMBL28229921 0.93 — —
SCHEMBL31339001 0.93 TSHR (0.71) TSHRALDH1A1CYP3A4HPGDTP53
Phosphine SCHEMBL31268105 0.93 TSHR (0.71) TSHRALDH1A1CYP3A4HPGDTP53
Hydrogen Peroxide SCHEMBL28304846 0.93 TSHR (0.71) TSHRALDH1A1CYP3A4HPGDTP53
Ethylene Glycol SCHEMBL28092417 0.93 TSHR (0.71) TSHRALDH1A1CYP3A4HPGDTP53

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-109233070-A A kind of polyvinyl foam dressing and preparation method thereof 郑伟 2019-01-18 — — CN disclosed
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