SCHEMBL7937647

SCHEMBL7937647

CCC(CC)(CC)C(=O)CC(=O)[O-].CCC(CC)(CC)C(=O)CC(=O)[O-].CCC(CC)(CC)C(=O)CC(=O)[O-].CCCCO[Zr+3]

nearest known ligand 0.34

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CA1 P00915 1/20 0.34
ALDH1A1 P00352 1/20 0.33
CA2 P00918 3/20 0.32
ATM Q13315 1/20 0.32
ACHE P22303 2/20 0.31
CES2 O00748 1/20 0.31
LPAR3 Q9UBY5 3/20 0.31
LPAR1 Q92633 2/20 0.31
LPAR2 Q9HBW0 2/20 0.31
TSHR P16473 2/20 0.31
CYP4F2 P78329 1/20 0.30
CYP4A11 Q02928 1/20 0.30
HPGD P15428 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
Acetoacetic Acid SCHEMBL7213762 0.79 ALDH1A1 (0.42) CA1ALDH1A1CA2ATMACHE
SCHEMBL1615731 0.78 CA4 (0.43) CA1
SCHEMBL20506735 0.78 CA4 (0.43) CA1
SCHEMBL10824711 0.78 CA4 (0.43) CA1
SCHEMBL237875 0.78 CA4 (0.43) CA1
SCHEMBL27641659 0.77 CA1 (0.38) CA1ALDH1A1CA2ATMACHE
SCHEMBL1924420 0.77 CA1 (0.38) CA1CA2CES2
SCHEMBL1360556 0.76 CA1 (0.41) CA1ALDH1A1CA2ATMCES2
Butyric Acid SCHEMBL29997268 0.74 FFAR3 (0.58) CA1ALDH1A1CA2CES2
SCHEMBL7937645 0.72 CA1 (0.33) CA1ALDH1A1CA2ATMCES2

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
US-6235101-B1 SILICON HYDROLYZATE, METAL CHELATE, ORGANIC SOLVENT AND BETA DIKETONE FOR FILMS JSR CORPORATION (JP) 2001-05-22 US disclosed