SCHEMBL28445313

SCHEMBL28445313

CC(C)(C)OC(=O)N1CCCC(C(=O)N2CCCC2C(=O)OCc2ccccc2)C1

nearest known ligand 0.53

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
FKBP1A P62942 11/20 0.53
KLK7 P49862 1/20 0.51
HSD11B1 P28845 2/20 0.49
ALDH1A1 P00352 1/20 0.47
CYP3A4 P08684 1/20 0.47
TSHR P16473 1/20 0.47

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
SCHEMBL26397406 1.00 FKBP1A (0.53) FKBP1AKLK7HSD11B1ALDH1A1CYP3A4
SCHEMBL20811255 1.00 FKBP1A (0.53) FKBP1AKLK7HSD11B1ALDH1A1CYP3A4
SCHEMBL14348059 0.88 ALDH1A1 (0.52) HSD11B1ALDH1A1CYP3A4TSHR
SCHEMBL2070692 0.88 ALDH1A1 (0.55) ALDH1A1CYP3A4TSHR
SCHEMBL14348055 0.88 ALDH1A1 (0.55) ALDH1A1CYP3A4TSHR
SCHEMBL20791017 0.87 FKBP1A (0.55) FKBP1AALDH1A1CYP3A4TSHR
SCHEMBL20791015 0.87 FKBP1A (0.55) FKBP1AALDH1A1CYP3A4TSHR
SCHEMBL9037346 0.86 KLK7 (0.54) FKBP1AKLK7ALDH1A1CYP3A4
SCHEMBL7307432 0.86 KLK7 (0.61) FKBP1AKLK7
SCHEMBL9609458 0.86 KLK7 (0.61) FKBP1AKLK7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111601798-B Bisamide sarcomere activating compounds and uses thereof 美国安进公司 2023-08-11 CN disclosed
CN-111601798-A Bisamide sarcomere activating compound and use thereof 美国安进公司 2020-08-28 CN disclosed