SCHEMBL27747005

SCHEMBL27747005

C=CC(Cc1ccccc1)S(=O)(=O)N1CCCC(c2cccc(CC(=O)OC)c2)C1

nearest known ligand 0.40

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
BCL9 O00512 8/20 0.40
CTNNB1 P35222 8/20 0.40
DRD2 P14416 3/20 0.38
DRD3 P35462 3/20 0.38
DRD1 P21728 2/20 0.38
DRD4 P21917 2/20 0.38
DRD5 P21918 2/20 0.38
SLC7A5 Q01650 1/20 0.37
CTSG P08311 1/20 0.36
CMA1 P23946 1/20 0.36
ACHE P22303 1/20 0.36
ALDH1A1 P00352 1/20 0.36
POLB P06746 1/20 0.36
PPARA Q07869 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
SCHEMBL27746990 0.90 ALDH1A1 (0.39) BCL9CTNNB1DRD2DRD3DRD1
SCHEMBL27768400 0.89 DRD3 (0.41) BCL9CTNNB1DRD2DRD3DRD1
SCHEMBL27768051 0.86 BCL9 (0.39) BCL9CTNNB1DRD2DRD3DRD1
SCHEMBL3930618 0.82 ALDH1A1 (0.53) BCL9CTNNB1ALDH1A1POLB
SCHEMBL3943769 0.81 DRD2 (0.45) BCL9CTNNB1DRD2DRD3DRD1
Ethylbenzene SCHEMBL27747313 0.81 ALDH1A1 (0.40) BCL9CTNNB1DRD2DRD3DRD1
SCHEMBL27768152 0.81 DRD3 (0.42) BCL9CTNNB1DRD2DRD3DRD1
SCHEMBL28781341 0.80 L3MBTL1 (0.39) BCL9CTNNB1ALDH1A1
Fluorobenzene SCHEMBL27747012 0.80 DRD2 (0.39) BCL9CTNNB1DRD2DRD3DRD1
Chlorobenzene SCHEMBL27747004 0.80 BCL9 (0.39) BCL9CTNNB1DRD2DRD3DRD1

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