SCHEMBL6576470

SCHEMBL6576470

CCCCC(CCC(=O)OC)C(=O)OO

nearest known ligand 0.53

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CA2 P00918 7/20 0.53
CA1 P00915 4/20 0.53
SLC1A1 P43005 1/20 0.42
TSHR P16473 5/20 0.42
CA12 O43570 2/20 0.40
CA14 Q9ULX7 2/20 0.40
PPARG P37231 1/20 0.40
CYP3A4 P08684 1/20 0.40
ATM Q13315 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
MAPK1 P28482 1/20 0.40
BIRC2 Q13490 1/20 0.39
ZDHHC7 Q9NXF8 1/20 0.39
CA7 P43166 1/20 0.38
CA9 Q16790 1/20 0.38

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
SCHEMBL9508659 0.89 CA2 (0.67) CA2CA1SLC1A1TSHRCA12
SCHEMBL8463037 0.85 CA2 (0.57) CA2CA1SLC1A1TSHRCYP3A4
SCHEMBL10766368 0.84 CA2 (0.42) CA2CA1SLC1A1TSHRCYP3A4
SCHEMBL10873791 0.83 CA2 (0.44) CA2CA1ZDHHC7
SCHEMBL10768027 0.83 CA2 (0.44) CA2CA1ZDHHC7
SCHEMBL9836308 0.83 CA2 (0.44) CA2CA1ZDHHC7
SCHEMBL10767424 0.83 CA2 (0.44) CA2CA1ZDHHC7
SCHEMBL8372394 0.82 CA2 (0.47) CA2CA1TSHRCYP3A4ATM
SCHEMBL28154687 0.82 CA2 (0.67) CA2CA1TSHRCA12CA14
SCHEMBL9285939 0.81 CA2 (0.53) CA2CA1SLC1A1TSHRCYP3A4

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-0915134-B1 Thermoplastic elastomer with high resistance, elasticity and good paintability and high impact resistant polymer blends prepared therefrom BOREALIS GMBH (AT) 2004-04-28 EP disclosed