SCHEMBL3929256

SCHEMBL3929256

CCc1ccc(S(=O)(=O)N2CCN(Cc3cc(CC(=O)O)ccc3OCc3ccc(Cl)cc3)CC2)cc1

nearest known ligand 0.58

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 7/20 0.58
TDP1 Q9NUW8 1/20 0.52
ALDH1A1 P00352 1/20 0.49
LMNA P02545 1/20 0.49
POLB P06746 1/20 0.49
MAPK1 P28482 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
CCR5 P51681 5/20 0.49
LSS P48449 1/20 0.47
TP53 P04637 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
SCHEMBL3928788 0.95 PTGDR2 (0.63) PTGDR2TDP1ALDH1A1LMNAPOLB
SCHEMBL3937820 0.93 PTGDR2 (0.58) PTGDR2TDP1ALDH1A1LMNAPOLB
SCHEMBL3927277 0.92 PTGDR2 (0.69) PTGDR2ALDH1A1CCR5TP53
SCHEMBL3928439 0.91 ALDH1A1 (0.63) PTGDR2TDP1ALDH1A1LMNAPOLB
SCHEMBL3929027 0.91 PTGDR2 (0.58) PTGDR2CCR5
SCHEMBL3931497 0.91 PTGDR2 (0.71) PTGDR2TDP1ALDH1A1LMNAPOLB
SCHEMBL3932780 0.91 PTGDR2 (0.56) PTGDR2TDP1ALDH1A1LMNAPOLB
SCHEMBL3927677 0.90 PTGDR2 (0.57) PTGDR2TDP1ALDH1A1LMNAPOLB
SCHEMBL3939464 0.90 PTGDR2 (0.59) PTGDR2TDP1CCR5
SCHEMBL14367492 0.89 PTGDR2 (0.56) PTGDR2TDP1ALDH1A1LMNAPOLB

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 3 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 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