SCHEMBL14409121

SCHEMBL14409121

C=CCOCC(O)COC(=O)C(C)CC(C)=O

nearest known ligand 0.45

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CA1 P00915 5/20 0.45
CA2 P00918 5/20 0.45
CA7 P43166 4/20 0.45
CA9 Q16790 4/20 0.36
CA4 P22748 3/20 0.36
TDP1 Q9NUW8 2/20 0.35
ALDH1A1 P00352 2/20 0.35
USP2 O75604 2/20 0.35
CYP3A4 P08684 2/20 0.35
MAPT P10636 2/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
HPGD P15428 1/20 0.35
ADRB2 P07550 3/20 0.34
ADRB1 P08588 3/20 0.34
ADRB3 P13945 3/20 0.34
TSHR P16473 1/20 0.32
LMNA P02545 1/20 0.30
RECQL P46063 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
SCHEMBL12055819 0.84 CA1 (0.47) CA1CA2CA7CA9CA4
SCHEMBL16248443 0.82 CA1 (0.52) CA1CA2CA7CA9CA4
SCHEMBL1831331 0.80 CA1 (0.53) CA1CA2CA7CA9CA4
SCHEMBL31587668 0.80 CA1 (0.53) CA1CA2CA7CA9CA4
SCHEMBL12722885 0.78 CA1 (0.47) CA1CA2CA7CA9CA4
SCHEMBL967572 0.76 TSHR (0.50) CA1CA2CA7CA9CA4
SCHEMBL15623798 0.76 CA1 (0.49) CA1CA2CA7CA9CA4
SCHEMBL1437851 0.75 CA1 (0.47) CA1CA2CA7CA9CA4
SCHEMBL497334 0.74 CA1 (0.74) CA1CA2CA7CA9CA4
SCHEMBL3410016 0.74 CA1 (0.53) CA1CA2CA7CA9CA4

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-7265165-B2 Colored minute particles dispersion, aqueous ink, and image forming method using the same KONICA CORPORATION (JP) 2007-09-04 US disclosed