SCHEMBL28697448

SCHEMBL28697448

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

nearest known ligand 0.39

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TSHR P16473 8/20 0.39
HPGD P15428 1/20 0.39
THRB P10828 3/20 0.37
ALDH1A1 P00352 5/20 0.35
TP53 P04637 3/20 0.35
HIF1A Q16665 3/20 0.35
CYP3A4 P08684 2/20 0.35
MAPK1 P28482 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
HSD17B10 Q99714 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
SCHEMBL23494166 0.85 THRB (0.39) TSHRHPGDTHRBALDH1A1TP53
SCHEMBL23494171 0.85 TSHR (0.41) TSHRHPGDTHRBALDH1A1TP53
SCHEMBL28847101 0.79 TSHR (0.37) TSHRHPGDTHRBALDH1A1TP53
SCHEMBL18469469 0.76 THRB (0.38) TSHRHPGDTHRBALDH1A1TP53
SCHEMBL28360932 0.76 TSHR (0.37) TSHRHPGDTHRBALDH1A1TP53
SCHEMBL9545994 0.75 TSHR (0.45) TSHRHPGDTHRBALDH1A1TP53
SCHEMBL544590 0.75 TSHR (0.45) TSHRHPGDTHRBALDH1A1TP53
SCHEMBL26124894 0.75 TSHR (0.36) TSHRHPGDTHRBALDH1A1TP53
SCHEMBL8639740 0.75 TSHR (0.36) TSHRHPGDTHRBALDH1A1TP53
SCHEMBL153584 0.74 TSHR (0.41) TSHRHPGDTHRBALDH1A1TP53

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-111542554-B Polymer, curable resin composition, and use thereof 株式会社日本触媒 2022-03-18 CN disclosed