SCHEMBL3930557

SCHEMBL3930557

Cc1ccc(S(=O)(=O)N2CCN(Cc3cc(CC(=O)O)ccc3OC3CCCC3)CC2)cc1

nearest known ligand 0.51

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.50
KDM4E B2RXH2 2/20 0.50
STAT3 P40763 1/20 0.50
SMN1; SMN2 Q16637 3/20 0.47
TP53 P04637 2/20 0.47
MAPT P10636 1/20 0.47
THRB P10828 1/20 0.47
LMNA P02545 2/20 0.46
TSHR P16473 1/20 0.46
PKM P14618 2/20 0.46
HTT P42858 2/20 0.46
PTGDR2 Q9Y5Y4 2/20 0.46
CYP3A4 P08684 1/20 0.46
GAA P10253 1/20 0.46
CYP2D6 P10635 1/20 0.46
CYP2C9 P11712 1/20 0.46
CYP2C19 P33261 1/20 0.46

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
SCHEMBL3927288 0.91 ALDH1A1 (0.51) ALDH1A1KDM4ESTAT3SMN1; SMN2TP53
SCHEMBL3936875 0.87 PTGDR2 (0.48) ALDH1A1KDM4ESTAT3SMN1; SMN2TP53
SCHEMBL4106390 0.87 KDM4E (0.63) ALDH1A1KDM4ESTAT3SMN1; SMN2TP53
SCHEMBL3925705 0.85 PTGDR2 (0.50) ALDH1A1KDM4ESTAT3SMN1; SMN2TP53
SCHEMBL3931978 0.85 MEN1 (0.54) ALDH1A1KDM4ESTAT3SMN1; SMN2TP53
SCHEMBL3932364 0.83 PTGDR2 (0.55) ALDH1A1KDM4ESTAT3SMN1; SMN2TP53
SCHEMBL3926126 0.81 PTGDR2 (0.49) ALDH1A1KDM4ESTAT3SMN1; SMN2TP53
SCHEMBL3929213 0.81 MEN1 (0.50) ALDH1A1KDM4ESTAT3SMN1; SMN2TP53
SCHEMBL3928769 0.81 PTGDR2 (0.61) ALDH1A1KDM4ESTAT3SMN1; SMN2TP53
SCHEMBL3937820 0.81 PTGDR2 (0.58) ALDH1A1KDM4ESTAT3SMN1; SMN2TP53

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-2044044-A2 SUBSTITUTED PHENYL ACETIC ACIDS AS DP-2 ANTAGONISTS ICOS CORPORATION (US) 2009-04-08 EP claimed
WO-2007143745-A2 SUBSTITUTED PHENYL ACETIC ACIDS AS DP-2 ANTAGONISTS ICOS CORPORATION (US) 2007-12-13 WO claimed
EP-2044044-A2 SUBSTITUTED PHENYL ACETIC ACIDS AS DP-2 ANTAGONISTS ICOS CORPORATION (US) 2009-04-08 EP disclosed
WO-2007143745-A2 SUBSTITUTED PHENYL ACETIC ACIDS AS DP-2 ANTAGONISTS ICOS CORPORATION (US) 2007-12-13 WO disclosed
WO-2007143745-A2 SUBSTITUTED PHENYL ACETIC ACIDS AS DP-2 ANTAGONISTS ICOS CORPORATION (US) 2007-12-13 WO disclosed