SCHEMBL3929988

SCHEMBL3929988

COC(=O)Cc1ccc(OCCC(C)C)c(CN2CCN(S(=O)(=O)c3ccc(C)cc3)CC2)c1

nearest known ligand 0.50

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.50
ALDH1A1 P00352 4/20 0.50
STAT3 P40763 1/20 0.50
PKM P14618 2/20 0.48
HTT P42858 2/20 0.48
LMNA P02545 1/20 0.48
SMN1; SMN2 Q16637 3/20 0.46
GAA P10253 1/20 0.46
TSHR P16473 1/20 0.46
TP53 P04637 2/20 0.45
MAPT P10636 1/20 0.45
THRB P10828 1/20 0.45
PTGDR2 Q9Y5Y4 2/20 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
SCHEMBL3926126 0.91 PTGDR2 (0.49) KDM4EALDH1A1STAT3PKMHTT
SCHEMBL3934199 0.88 KDM4E (0.54) KDM4EALDH1A1STAT3PKMHTT
SCHEMBL3937412 0.87 ALDH1A1 (0.62) KDM4EALDH1A1STAT3PKMSMN1; SMN2
SCHEMBL3928218 0.85 ALDH1A1 (0.51) KDM4EALDH1A1STAT3PKMHTT
SCHEMBL3936631 0.85 ALDH1A1 (0.51) KDM4EALDH1A1STAT3PKMHTT
SCHEMBL3937733 0.84 ALDH1A1 (0.52) KDM4EALDH1A1STAT3PKMLMNA
SCHEMBL3939227 0.84 ALDH1A1 (0.49) KDM4EALDH1A1STAT3SMN1; SMN2GAA
SCHEMBL3938472 0.82 ALDH1A1 (0.48) KDM4EALDH1A1STAT3HTTLMNA
SCHEMBL3933440 0.82 PTGDR2 (0.54) KDM4EALDH1A1STAT3LMNASMN1; SMN2
SCHEMBL3927288 0.82 ALDH1A1 (0.51) KDM4EALDH1A1STAT3PKMHTT

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