SCHEMBL3931497

SCHEMBL3931497

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

nearest known ligand 0.71

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 7/20 0.71
KDM4E B2RXH2 3/20 0.54
ALDH1A1 P00352 3/20 0.54
SMN1; SMN2 Q16637 2/20 0.54
HTT P42858 1/20 0.49
CCR5 P51681 2/20 0.49
MEN1 O00255 1/20 0.48
KMT2A Q03164 1/20 0.48
TDP1 Q9NUW8 1/20 0.48
LMNA P02545 1/20 0.47
POLB P06746 1/20 0.47
MAPK1 P28482 1/20 0.47
BLM P54132 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) PTGDR2ALDH1A1SMN1; SMN2CCR5TDP1
SCHEMBL3927277 0.92 PTGDR2 (0.69) PTGDR2KDM4EALDH1A1CCR5
SCHEMBL3928769 0.91 PTGDR2 (0.61) PTGDR2KDM4EALDH1A1SMN1; SMN2HTT
SCHEMBL3929027 0.91 PTGDR2 (0.58) PTGDR2CCR5
SCHEMBL3929256 0.91 PTGDR2 (0.58) PTGDR2ALDH1A1SMN1; SMN2CCR5TDP1
SCHEMBL3937820 0.91 PTGDR2 (0.58) PTGDR2KDM4EALDH1A1SMN1; SMN2CCR5
SCHEMBL3927677 0.90 PTGDR2 (0.57) PTGDR2ALDH1A1SMN1; SMN2CCR5TDP1
SCHEMBL3939464 0.90 PTGDR2 (0.59) PTGDR2CCR5TDP1
SCHEMBL3928439 0.90 ALDH1A1 (0.63) PTGDR2KDM4EALDH1A1SMN1; SMN2KMT2A
SCHEMBL14367492 0.89 PTGDR2 (0.56) PTGDR2ALDH1A1SMN1; SMN2CCR5TDP1

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