SCHEMBL28563255

SCHEMBL28563255

CCCS(=O)(=O)O.OCCCC(CO)CO

nearest known ligand 0.42

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.42
LMNA P02545 3/20 0.42
TP53 P04637 1/20 0.33
RECQL P46063 1/20 0.33
S1PR2 O95136 1/20 0.33
S1PR1 P21453 1/20 0.33
S1PR3 Q99500 1/20 0.33
APP P05067 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
HSD17B10 Q99714 1/20 0.30
MEN1 O00255 1/20 0.30
KMT2A Q03164 1/20 0.30
TSHR P16473 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
SCHEMBL28663708 0.83 LMNA (0.36) ALDH1A1LMNATP53S1PR2S1PR1
SCHEMBL2057693 0.83 THRB (0.38) ALDH1A1LMNATP53S1PR2S1PR1
1,4-Butanediol SCHEMBL20236034 0.81 SMN1; SMN2 (0.48) ALDH1A1LMNATP53S1PR2S1PR1
1,3-Propanediol SCHEMBL575489 0.81 ALDH1A1 (0.43) ALDH1A1LMNATP53S1PR2S1PR1
1,4-Butanediol SCHEMBL575703 0.81 SMN1; SMN2 (0.48) ALDH1A1LMNATP53S1PR2S1PR1
Butane SCHEMBL28324759 0.79 ALDH1A1 (0.56) ALDH1A1LMNATP53SMN1; SMN2HSD17B10
SCHEMBL2057209 0.78 THRB (0.37) ALDH1A1LMNATP53SMN1; SMN2HSD17B10
Butyl Alcohol SCHEMBL28274167 0.77 ALDH1A1 (0.61) ALDH1A1LMNATP53SMN1; SMN2HSD17B10
SCHEMBL2057919 0.77 PSMD14 (0.39) ALDH1A1LMNATP53HSD17B10MEN1
SCHEMBL2057575 0.77 PSMD14 (0.39) ALDH1A1LMNATP53HSD17B10MEN1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114365686-B Method for cultivating moss for biological monitoring 西南科技大学 2022-12-09 CN claimed
CN-114365686-B Method for cultivating moss for biological monitoring 西南科技大学 2022-12-09 CN disclosed
CN-107427429-B Emulsified cosmetic composition with pH buffer system 株式会社LG生活健康 2021-09-07 CN disclosed
CN-107157933-B Novel protein self-assembly nano vaccine and preparation method thereof 同济大学 2021-05-11 CN disclosed