SCHEMBL27768152

SCHEMBL27768152

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

nearest known ligand 0.42

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
DRD3 P35462 11/20 0.42
DRD2 P14416 9/20 0.42
DRD4 P21917 5/20 0.41
DRD1 P21728 3/20 0.41
DRD5 P21918 3/20 0.41
SIGMAR1 Q99720 3/20 0.37
NFKB1 P19838 1/20 0.37
PRCP P42785 1/20 0.37
EBP Q15125 1/20 0.37
BCL9 O00512 1/20 0.37
CTNNB1 P35222 1/20 0.37
ACHE P22303 1/20 0.37

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
SCHEMBL27768400 0.91 DRD3 (0.41) DRD3DRD2DRD4DRD1DRD5
SCHEMBL27746990 0.88 ALDH1A1 (0.39) DRD3DRD2DRD4DRD1DRD5
SCHEMBL3933831 0.82 DRD3 (0.47) DRD3DRD2DRD4DRD1DRD5
SCHEMBL27747005 0.81 BCL9 (0.40) DRD3DRD2DRD4DRD1DRD5
SCHEMBL27768126 0.80 DRD3 (0.38) DRD3DRD2DRD4DRD1DRD5
SCHEMBL3939587 0.80 DRD3 (0.47) DRD3DRD2DRD4DRD1DRD5
Ethylbenzene SCHEMBL27747179 0.78 DRD3 (0.41) DRD3DRD2DRD4DRD1DRD5
SCHEMBL27747181 0.78 ALDH1A1 (0.38) DRD3DRD2BCL9CTNNB1
SCHEMBL3933032 0.76 ALDH1A1 (0.54)
SCHEMBL3941700 0.76 BCL9 (0.54) BCL9CTNNB1

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