SCHEMBL3930804

SCHEMBL3930804

O=C(O)Cc1cccc(C2CCCN(S(=O)(=O)CCc3ccccc3)C2)c1

nearest known ligand 0.48

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 5/20 0.46
DRD3 P35462 5/20 0.46
DRD1 P21728 2/20 0.46
DRD4 P21917 2/20 0.46
DRD5 P21918 2/20 0.46
MMP1 P03956 1/20 0.46
MMP7 P09237 1/20 0.46
MMP8 P22894 1/20 0.46
MMP12 P39900 1/20 0.46
MMP13 P45452 1/20 0.46
FKBP1A P62942 3/20 0.44
ALDH1A1 P00352 2/20 0.43
POLB P06746 1/20 0.43
LMNA P02545 1/20 0.43
HTT P42858 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
BCL9 O00512 1/20 0.42
CTNNB1 P35222 1/20 0.42
FFAR4 Q5NUL3 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
SCHEMBL3933032 0.89 ALDH1A1 (0.54) ALDH1A1POLBLMNAHTTSMN1; SMN2
SCHEMBL3936397 0.89 DRD2 (0.45) DRD2DRD3DRD1DRD4DRD5
SCHEMBL3933831 0.88 DRD3 (0.47) DRD2DRD3DRD1DRD4DRD5
SCHEMBL3941700 0.85 BCL9 (0.54) ALDH1A1LMNASMN1; SMN2BCL9CTNNB1
SCHEMBL3939587 0.84 DRD3 (0.47) DRD2DRD3DRD1DRD4DRD5
Ethylbenzene SCHEMBL27747179 0.81 DRD3 (0.41) DRD2DRD3DRD1DRD4DRD5
Chlorobenzene SCHEMBL27747084 0.81 DRD3 (0.39) DRD2DRD3DRD1DRD4DRD5
1,2-Dichlorobenzene SCHEMBL27768082 0.81 ALDH1A1 (0.40) DRD2DRD3DRD1DRD4DRD5
Fluorobenzene SCHEMBL27747102 0.81 TSHR (0.41) DRD2DRD3DRD1DRD4DRD5
SCHEMBL3936225 0.81 BCL9 (0.48) DRD2DRD3DRD1DRD4DRD5

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