SCHEMBL4014322

SCHEMBL4014322

COC(=O)Cc1ccc(OCc2ccc(Cl)cc2)c(CN2CCN(S(=O)(=O)c3ccc(Cl)cc3)CC2)c1

nearest known ligand 0.55

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 3/20 0.55
ALDH1A1 P00352 2/20 0.53
SMN1; SMN2 Q16637 2/20 0.53
LMNA P02545 1/20 0.53
POLB P06746 1/20 0.53
MAPK1 P28482 1/20 0.53
TDP1 Q9NUW8 1/20 0.52
CCR5 P51681 5/20 0.51
LSS P48449 1/20 0.48
KCNT1 Q5JUK3 1/20 0.48
GAA P10253 1/20 0.48
TSHR P16473 1/20 0.48

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
SCHEMBL3934199 0.92 KDM4E (0.54) PTGDR2ALDH1A1SMN1; SMN2LMNA
SCHEMBL3928436 0.91 PTGDR2 (0.48) PTGDR2ALDH1A1SMN1; SMN2LMNAPOLB
SCHEMBL3928788 0.90 PTGDR2 (0.63) PTGDR2ALDH1A1SMN1; SMN2LMNAPOLB
SCHEMBL3939227 0.89 ALDH1A1 (0.49) PTGDR2ALDH1A1SMN1; SMN2GAATSHR
SCHEMBL3928218 0.88 ALDH1A1 (0.51) PTGDR2ALDH1A1SMN1; SMN2LMNAPOLB
SCHEMBL3937733 0.88 ALDH1A1 (0.52) ALDH1A1SMN1; SMN2LMNAPOLBMAPK1
SCHEMBL3928439 0.88 ALDH1A1 (0.63) PTGDR2ALDH1A1SMN1; SMN2LMNAPOLB
SCHEMBL3929256 0.87 PTGDR2 (0.58) PTGDR2ALDH1A1SMN1; SMN2LMNAPOLB
SCHEMBL3937820 0.87 PTGDR2 (0.58) PTGDR2ALDH1A1SMN1; SMN2LMNAPOLB
SCHEMBL3927277 0.86 PTGDR2 (0.69) PTGDR2ALDH1A1CCR5

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 2 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