SCHEMBL4335770

SCHEMBL4335770

CC(C)[O-].CC(C)[O-].CCCCC(C(C)=O)C(=O)[O-].[Al+3]

nearest known ligand 0.47

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CA1 P00915 4/20 0.47
CA2 P00918 6/20 0.46
NFKB1 P19838 3/20 0.39
CYP3A4 P08684 2/20 0.39
TSHR P16473 2/20 0.39
NPSR1 Q6W5P4 2/20 0.39
MAPK1 P28482 1/20 0.35
POLB P06746 1/20 0.35
CES1 P23141 2/20 0.34
CES2 O00748 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
SCHEMBL2137547 0.94 CA2 (0.50) CA1CA2NFKB1CYP3A4TSHR
SCHEMBL4332187 0.93 CA1 (0.53) CA1CA2NFKB1
SCHEMBL4335973 0.93 CA1 (0.53) CA1CA2NFKB1
SCHEMBL23093495 0.90 CA2 (0.50) CA1CA2NFKB1CYP3A4TSHR
SCHEMBL31412868 0.90 CA2 (0.50) CA1CA2NFKB1CYP3A4TSHR
Silver SCHEMBL3785806 0.90 CA2 (0.50) CA1CA2NFKB1CYP3A4TSHR
SCHEMBL6152614 0.89 CA2 (0.50) CA1CA2NFKB1CYP3A4TSHR
SCHEMBL11073494 0.88 TSHR (0.46) CA1CA2NFKB1CYP3A4TSHR
SCHEMBL4620045 0.86 CA2 (0.55) CA1CA2NFKB1CES1CES2
SCHEMBL23581912 0.86 CA2 (0.55) CA1CA2NFKB1CES1CES2

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
US-20090242250-A1 POLYIMIDE FILM, METHOD FOR PRODUCTION THEREOF, POLYIMIDE-METAL LAMINATED PRODUCT, AND CIRCUIT BOARD UBE INDUSTRIES, LTD. (JP) 2009-10-01 US disclosed
US-4040083-A ALUMINUM OXIDE LAYER BONDING POLYMER RESIN LAYER TO SEMICONDUCTOR DEVICE HITACHI, LTD. (JA) 1977-08-02 US disclosed