SCHEMBL11129258

SCHEMBL11129258

CC(I)CC(C)(C)C(=O)O

nearest known ligand 0.38

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ACACB O00763 1/20 0.38
ACACA Q13085 1/20 0.38
TSHR P16473 2/20 0.35
ALDH1A1 P00352 1/20 0.35
ACLY P53396 1/20 0.34
CYP2D6 P10635 1/20 0.33
CYP2C19 P33261 1/20 0.33
HIF1A Q16665 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
SCHEMBL28552427 0.81 ACACB (0.41) ACACBACACATSHRALDH1A1ACLY
SCHEMBL301722 0.79 ACACB (0.40) ACACBACACATSHRALDH1A1ACLY
SCHEMBL28065512 0.77 ACACB (0.39) ACACBACACATSHRALDH1A1ACLY
SCHEMBL28065497 0.77 ACACB (0.39) ACACBACACATSHRALDH1A1ACLY
SCHEMBL17299152 0.75 FDPS (0.41) ACACBACACATSHRALDH1A1ACLY
SCHEMBL7698226 0.75 ACACB (0.42) ACACBACACATSHRALDH1A1ACLY
SCHEMBL9688268 0.75 ACACB (0.38) ACACBACACATSHRALDH1A1ACLY
SCHEMBL17299155 0.75 FDPS (0.41) ACACBACACATSHRALDH1A1ACLY
SCHEMBL12493645 0.75 FDPS (0.41) ACACBACACATSHRALDH1A1ACLY
SCHEMBL9710109 0.75 ACACB (0.38) ACACBACACATSHRALDH1A1ACLY

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
EP-0124618-A1 CEPHALOSPORIN DERIVATIVES, PROCESS FOR THEIR PREPARATION, AND AGENTS FOR PROPHYLAXIS OR TREATMENT OF BACTERIA-INDUCED DISEASES Kyoto Pharmaceutical Industries, Ltd. (JP) 1984-11-14 EP disclosed