SCHEMBL3928439

SCHEMBL3928439

COc1ccc(S(=O)(=O)N2CCN(Cc3cc(CC(=O)O)ccc3OCc3ccc(Cl)cc3)CC2)cc1

nearest known ligand 0.63

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.63
LMNA P02545 3/20 0.63
MAPK1 P28482 2/20 0.63
POLB P06746 2/20 0.63
SMN1; SMN2 Q16637 2/20 0.63
PTGDR2 Q9Y5Y4 3/20 0.57
TP53 P04637 1/20 0.54
TDP1 Q9NUW8 1/20 0.53
TSHR P16473 1/20 0.53
L3MBTL1 Q9Y468 1/20 0.53
KDM4E B2RXH2 2/20 0.51
PKM P14618 1/20 0.51
GAA P10253 1/20 0.50
KMT2A Q03164 1/20 0.50
ALOX12 P18054 1/20 0.49

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
SCHEMBL3928788 0.94 PTGDR2 (0.63) ALDH1A1LMNAMAPK1POLBSMN1; SMN2
SCHEMBL3928709 0.92 TP53 (0.55) ALDH1A1LMNAMAPK1POLBSMN1; SMN2
SCHEMBL3929256 0.91 PTGDR2 (0.58) ALDH1A1LMNAMAPK1POLBSMN1; SMN2
SCHEMBL3937820 0.91 PTGDR2 (0.58) ALDH1A1LMNAMAPK1POLBSMN1; SMN2
SCHEMBL3927277 0.90 PTGDR2 (0.69) ALDH1A1PTGDR2TP53KDM4E
SCHEMBL3929027 0.90 PTGDR2 (0.58) PTGDR2
SCHEMBL3931497 0.90 PTGDR2 (0.71) ALDH1A1LMNAMAPK1POLBSMN1; SMN2
SCHEMBL3932780 0.89 PTGDR2 (0.56) ALDH1A1LMNAMAPK1POLBSMN1; SMN2
SCHEMBL3927677 0.89 PTGDR2 (0.57) ALDH1A1LMNAMAPK1POLBSMN1; SMN2
SCHEMBL3939464 0.88 PTGDR2 (0.59) PTGDR2TDP1

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