SCHEMBL28172002

SCHEMBL28172002

C(OCC1CO1)C1CO1.C=CC(=O)OCC1CCC2OC2C1

nearest known ligand 0.36

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.36
TP53 P04637 3/20 0.33
CYP3A4 P08684 1/20 0.33
TSHR P16473 3/20 0.33
HIF1A Q16665 2/20 0.32
HSD17B10 Q99714 1/20 0.32
MGLL Q99685 1/20 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
SCHEMBL195745 0.89 TSHR (0.35) ALDH1A1TP53CYP3A4TSHRHIF1A
SCHEMBL18979674 0.81 ALDH1A1 (0.37) ALDH1A1TP53CYP3A4HIF1AMGLL
SCHEMBL16397957 0.81 TP53 (0.40) ALDH1A1TP53CYP3A4TSHR
SCHEMBL623700 0.80 TSHR (0.45) ALDH1A1TP53CYP3A4TSHR
SCHEMBL28210908 0.80 ALDH1A1 (0.50) ALDH1A1TP53CYP3A4TSHRHIF1A
SCHEMBL14276054 0.80 TSHR (0.39) ALDH1A1TP53CYP3A4TSHRHIF1A
SCHEMBL14199490 0.80 TSHR (0.31) ALDH1A1TP53CYP3A4TSHRHIF1A
SCHEMBL28121230 0.80 ALDH1A1 (0.42) ALDH1A1TSHR
SCHEMBL17281229 0.79 TSHR (0.47) ALDH1A1TP53CYP3A4TSHRHIF1A
SCHEMBL29942249 0.79

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-107109068-A Curable organopolysiloxane composition, its cured product and the method for forming cured film 道康宁东丽株式会社 2017-08-29 CN disclosed