SCHEMBL27334875

SCHEMBL27334875

CC(C)(C)C([O])=O.CCCc1nc(C(C)(C)O)c(C(=O)O)[nH]1

nearest known ligand 0.33

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.33
GLA P06280 1/20 0.30

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
Alcohol SCHEMBL21776632 0.91 AGTR1 (0.32) GAAGLA
SCHEMBL14959679 0.82 GLA (0.32) GAAGLA
SCHEMBL2626708 0.82 GLA (0.33) GAAGLA
SCHEMBL2121837 0.78 HCRTR1 (0.35) GLA
SCHEMBL2626707 0.78 GLA (0.31) GAAGLA
SCHEMBL987234 0.77 ALDH1A1 (0.42)
Water SCHEMBL21776630 0.76 ALDH1A1 (0.41)
SCHEMBL7308680 0.75 KDM4E (0.30) GAA
SCHEMBL21786555 0.74 POLB (0.31)
SCHEMBL1969215 0.73 CYP3A4 (0.34)

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-1045770-C Process for preparing 1-biphenylmethylimidazole derivatives SANKYO CO (JP) 1999-10-20 CN disclosed