SCHEMBL3929149

SCHEMBL3929149

Cc1ccc(S(=O)(=O)N2CCN(Cc3cc(CC(=O)O)ccc3OCc3ccccc3F)CC2)cc1

nearest known ligand 0.51

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 4/20 0.51
ALDH1A1 P00352 7/20 0.50
KDM4E B2RXH2 6/20 0.50
TP53 P04637 3/20 0.50
MEN1 O00255 1/20 0.50
MAPK1 P28482 1/20 0.50
KMT2A Q03164 1/20 0.50
CYP3A4 P08684 1/20 0.49
GAA P10253 1/20 0.49
CYP2D6 P10635 1/20 0.49
CYP2C9 P11712 1/20 0.49
CYP2C19 P33261 1/20 0.49
PKM P14618 1/20 0.48
HTT P42858 1/20 0.48
SMN1; SMN2 Q16637 2/20 0.47
STAT3 P40763 1/20 0.47
POLB P06746 1/20 0.47
TDP1 Q9NUW8 1/20 0.47
LMNA P02545 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
SCHEMBL3931008 0.92 PTGDR2 (0.51) PTGDR2ALDH1A1KDM4ETP53CYP3A4
SCHEMBL3932364 0.90 PTGDR2 (0.55) PTGDR2ALDH1A1KDM4ETP53MEN1
SCHEMBL3931978 0.89 MEN1 (0.54) PTGDR2ALDH1A1KDM4ETP53MEN1
SCHEMBL3928769 0.89 PTGDR2 (0.61) PTGDR2ALDH1A1KDM4ETP53MEN1
SCHEMBL3937820 0.85 PTGDR2 (0.58) PTGDR2ALDH1A1KDM4ETP53MEN1
SCHEMBL3929213 0.85 MEN1 (0.50) PTGDR2ALDH1A1KDM4ETP53MEN1
SCHEMBL3928708 0.85 PTGDR2 (0.54) PTGDR2ALDH1A1KDM4ETP53CYP3A4
SCHEMBL3936773 0.85 PTGDR2 (0.60) PTGDR2ALDH1A1KDM4EMEN1KMT2A
SCHEMBL3933952 0.85 PTGDR2 (0.58) PTGDR2ALDH1A1KDM4ETP53KMT2A
SCHEMBL3928709 0.84 TP53 (0.55) PTGDR2ALDH1A1KDM4ETP53MEN1

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 4 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