SCHEMBL3933831

SCHEMBL3933831

CCCCS(=O)(=O)N1CCCC(c2cccc(CC(=O)O)c2)C1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD3 P35462 7/20 0.47
DRD2 P14416 6/20 0.47
DRD4 P21917 3/20 0.46
DRD1 P21728 2/20 0.46
DRD5 P21918 2/20 0.46
HTT P42858 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
CYP2D6 P10635 2/20 0.42
RECQL P46063 1/20 0.42
ELOVL6 Q9H5J4 1/20 0.42
MEN1 O00255 1/20 0.42
CYP1A2 P05177 1/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2C9 P11712 1/20 0.42
CYP2C19 P33261 1/20 0.42
KMT2A Q03164 1/20 0.42
SIGMAR1 Q99720 2/20 0.42
NFKB1 P19838 1/20 0.42
PRCP P42785 1/20 0.42
EBP Q15125 1/20 0.42

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
SCHEMBL3939609 0.89 DRD3 (0.45) DRD3DRD2DRD4DRD1DRD5
SCHEMBL3930804 0.88 DRD2 (0.46) DRD3DRD2DRD4DRD1DRD5
SCHEMBL3933032 0.85 ALDH1A1 (0.54) HTTSMN1; SMN2MEN1KMT2A
SCHEMBL3939587 0.85 DRD3 (0.47) DRD3DRD2DRD4DRD1DRD5
SCHEMBL27768152 0.82 DRD3 (0.42) DRD3DRD2DRD4DRD1DRD5
Ethylbenzene SCHEMBL27747179 0.82 DRD3 (0.41) DRD3DRD2DRD4DRD1DRD5
SCHEMBL3930676 0.82 BCL9 (0.49) DRD3DRD2MEN1CYP2C19KMT2A
SCHEMBL3941700 0.81 BCL9 (0.54) SMN1; SMN2MEN1CYP2C19KMT2A
SCHEMBL3937652 0.81 MEN1 (0.50) DRD3DRD2MEN1CYP2C19KMT2A
SCHEMBL3932070 0.80 ALDH1A1 (0.50) 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 5 patents. claimed = in the patent's claims; disclosed = body only.

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