SCHEMBL3943769

SCHEMBL3943769

COC(=O)Cc1cccc(C2CCCN(S(C)(=O)=O)C2)c1

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 4/20 0.45
DRD3 P35462 4/20 0.45
PDE4B Q07343 1/20 0.43
KMT2A Q03164 3/20 0.43
DRD1 P21728 1/20 0.43
DRD4 P21917 1/20 0.43
DRD5 P21918 1/20 0.43
KDM4E B2RXH2 2/20 0.43
BCL9 O00512 1/20 0.42
CTNNB1 P35222 1/20 0.42
ALDH1A1 P00352 1/20 0.42
TSHR P16473 1/20 0.42
RAB9A P51151 1/20 0.41
MEN1 O00255 1/20 0.41
GLA P06280 1/20 0.41

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
SCHEMBL3941453 0.88 BCL9 (0.47) DRD2DRD3KMT2ABCL9CTNNB1
SCHEMBL3939587 0.88 DRD3 (0.47) DRD2DRD3DRD1DRD4DRD5
SCHEMBL3930618 0.88 ALDH1A1 (0.53) KMT2ABCL9CTNNB1ALDH1A1TSHR
SCHEMBL3939609 0.86 DRD3 (0.45) DRD2DRD3DRD1DRD4DRD5
SCHEMBL3940272 0.86 ALDH1A1 (0.50) DRD2DRD3KMT2ADRD1DRD4
SCHEMBL3936397 0.86 DRD2 (0.45) DRD2DRD3DRD1DRD4DRD5
SCHEMBL3936472 0.85 TP53 (0.48) KMT2ABCL9CTNNB1ALDH1A1RAB9A
SCHEMBL3941279 0.85 BCL9 (0.46) KMT2ABCL9CTNNB1TSHRMEN1
SCHEMBL3941513 0.85 SMN1; SMN2 (0.48) KMT2ABCL9CTNNB1MEN1
SCHEMBL3935876 0.85 BCL9 (0.50) KMT2ABCL9CTNNB1MEN1

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 3 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 disclosed
EP-2044017-A2 SUBSTITUTED PHENYL ACETIC ACIDS AS DP-2 ANTAGONISTS ICOS CORPORATION (US) 2009-04-08 EP disclosed
WO-2007146838-A2 SUBSTITUTED PHENYL ACETIC ACIDS AS DP-2 ANTAGONISTS ICOS CORPORATION (US) 2007-12-21 WO disclosed