SCHEMBL3936875

SCHEMBL3936875

Cc1ccc(S(=O)(=O)N2CCN(Cc3cc(CC(=O)O)ccc3OCC3CCCCC3)CC2)cc1

nearest known ligand 0.48

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 4/20 0.48
ALDH1A1 P00352 3/20 0.48
KDM4E B2RXH2 1/20 0.48
STAT3 P40763 1/20 0.48
SMN1; SMN2 Q16637 2/20 0.45
TP53 P04637 2/20 0.45
MAPT P10636 1/20 0.45
THRB P10828 1/20 0.45
LMNA P02545 1/20 0.44
TSHR P16473 1/20 0.44
CD4 P01730 1/20 0.44
PKM P14618 1/20 0.44
HTT P42858 1/20 0.44

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
SCHEMBL3925705 0.96 PTGDR2 (0.50) PTGDR2ALDH1A1KDM4ESTAT3SMN1; SMN2
SCHEMBL3936631 0.87 ALDH1A1 (0.51) PTGDR2ALDH1A1KDM4ESTAT3SMN1; SMN2
SCHEMBL3930557 0.87 ALDH1A1 (0.50) PTGDR2ALDH1A1KDM4ESTAT3SMN1; SMN2
SCHEMBL3931978 0.86 MEN1 (0.54) PTGDR2ALDH1A1KDM4ESTAT3SMN1; SMN2
SCHEMBL4106390 0.84 KDM4E (0.63) ALDH1A1KDM4ESTAT3SMN1; SMN2TP53
SCHEMBL3932364 0.84 PTGDR2 (0.55) PTGDR2ALDH1A1KDM4ESTAT3SMN1; SMN2
SCHEMBL3929213 0.82 MEN1 (0.50) PTGDR2ALDH1A1KDM4ESTAT3SMN1; SMN2
SCHEMBL3928769 0.82 PTGDR2 (0.61) PTGDR2ALDH1A1KDM4ESTAT3SMN1; SMN2
SCHEMBL3926126 0.82 PTGDR2 (0.49) PTGDR2ALDH1A1KDM4ESTAT3SMN1; SMN2
SCHEMBL3937820 0.82 PTGDR2 (0.58) PTGDR2ALDH1A1KDM4ESTAT3SMN1; SMN2

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