SCHEMBL28002104

SCHEMBL28002104

C(=Cc1cc(COCC2CO2)ccc1COCC1CO1)COCC1CO1

nearest known ligand 0.37

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.37
TSHR P16473 2/20 0.35
TP53 P04637 1/20 0.35
CYP3A4 P08684 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
HIF1A Q16665 1/20 0.35
TDP1 Q9NUW8 1/20 0.33

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
SCHEMBL28002126 0.90 ALDH1A1 (0.37) ALDH1A1TSHRTP53CYP3A4SMN1; SMN2
SCHEMBL4865007 0.82 ALDH1A1 (0.40) ALDH1A1TSHRTP53CYP3A4SMN1; SMN2
SCHEMBL28175593 0.78 TSHR (0.40) ALDH1A1TSHRTP53CYP3A4SMN1; SMN2
SCHEMBL28002102 0.76 ALDH1A1 (0.42) ALDH1A1TSHRTP53CYP3A4SMN1; SMN2
Ethylene SCHEMBL28127571 0.76 ALDH1A1 (0.38) ALDH1A1TSHRTP53CYP3A4SMN1; SMN2
SCHEMBL3752522 0.74 ALDH1A1 (0.40) ALDH1A1TSHRTP53CYP3A4SMN1; SMN2
SCHEMBL1471512 0.73 ALDH1A1 (0.42) ALDH1A1TSHRTP53CYP3A4SMN1; SMN2
SCHEMBL731016 0.73 TSHR (0.48) ALDH1A1TSHRTP53CYP3A4SMN1; SMN2
SCHEMBL18889549 0.72 TSHR (0.46) ALDH1A1TSHRTP53CYP3A4SMN1; SMN2
SCHEMBL9267812 0.70 MGLL (0.41) ALDH1A1TSHRTP53CYP3A4SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-102838578-B Salt and cured composition for color SUMITOMO CHEMICAL CO.,LTD. (JP) 2016-03-16 CN disclosed
CN-102372825-B Curable resin composition SUMITOMO CHEMICAL CO., LTD. (JP) 2015-11-04 CN disclosed
CN-102336873-B Curable resin composition SUMITOMO CHEMICAL CO 2015-03-11 CN disclosed