SCHEMBL5081752

SCHEMBL5081752

O=[C]C12CC3CC([C]=O)(C1)CC(C(=O)O)(C3)C2

nearest known ligand 0.37

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
PKM P14618 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
ALDH1A1 P00352 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
SCHEMBL6152600 0.82 PKM (0.47) PKML3MBTL1ALDH1A1
SCHEMBL2747494 0.78 PKM (0.33) PKML3MBTL1ALDH1A1
SCHEMBL282760 0.78 PKM (0.42) PKML3MBTL1ALDH1A1
SCHEMBL5000767 0.76 L3MBTL1 (0.38) PKML3MBTL1ALDH1A1
Hydrochloric Acid SCHEMBL4580832 0.75 PKM (0.46) PKML3MBTL1ALDH1A1
Hydrochloric Acid SCHEMBL5004436 0.74 L3MBTL1 (0.41) PKML3MBTL1ALDH1A1
SCHEMBL8717720 0.72
SCHEMBL6227784 0.71
SCHEMBL6227789 0.71 MEN1 (0.42) ALDH1A1
Hydrochloric Acid SCHEMBL29705738 0.70

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-1462471-B1 Dielectric films and materials therefor DAICEL CHEM (JP) 2008-07-30 EP disclosed