SCHEMBL27768400

SCHEMBL27768400

C=CC(CCCC)S(=O)(=O)N1CCCC(c2cccc(CC(=O)OC)c2)C1

nearest known ligand 0.42

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
DRD3 P35462 10/20 0.41
DRD2 P14416 10/20 0.41
DRD4 P21917 4/20 0.39
DRD1 P21728 3/20 0.39
DRD5 P21918 3/20 0.39
ACHE P22303 1/20 0.39
BCL9 O00512 2/20 0.36
CTNNB1 P35222 2/20 0.36
SIGMAR1 Q99720 2/20 0.36
NFKB1 P19838 1/20 0.36
PRCP P42785 1/20 0.36
EBP Q15125 1/20 0.36

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
SCHEMBL27768152 0.91 DRD3 (0.42) DRD3DRD2DRD4DRD1DRD5
SCHEMBL27747005 0.89 BCL9 (0.40) DRD3DRD2DRD4DRD1DRD5
SCHEMBL3939609 0.83 DRD3 (0.45) DRD3DRD2DRD4DRD1DRD5
SCHEMBL27768051 0.82 BCL9 (0.39) DRD3DRD2DRD4DRD1DRD5
SCHEMBL3943769 0.81 DRD2 (0.45) DRD3DRD2DRD4DRD1DRD5
SCHEMBL28781341 0.80 L3MBTL1 (0.39) BCL9CTNNB1
SCHEMBL27746990 0.79 ALDH1A1 (0.39) DRD3DRD2DRD4DRD1DRD5
Ethylbenzene SCHEMBL27747313 0.79 ALDH1A1 (0.40) DRD3DRD2DRD4DRD1DRD5
SCHEMBL3930618 0.77 ALDH1A1 (0.53) BCL9CTNNB1
SCHEMBL27768143 0.77 DRD2 (0.37) DRD3DRD2DRD4DRD1DRD5

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
CN-101490001-A Substituted phenylacetic acids as DP-2 antagonists ICOS CORP (US) 2009-07-22 CN disclosed