SCHEMBL3934199

SCHEMBL3934199

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

nearest known ligand 0.54

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.54
ALDH1A1 P00352 3/20 0.54
STAT3 P40763 1/20 0.54
MEN1 O00255 1/20 0.52
KMT2A Q03164 1/20 0.52
TP53 P04637 2/20 0.48
SMN1; SMN2 Q16637 2/20 0.48
MAPT P10636 1/20 0.48
THRB P10828 1/20 0.48
PKM P14618 2/20 0.48
HTT P42858 2/20 0.48
PTGDR2 Q9Y5Y4 2/20 0.47
LMNA P02545 1/20 0.47

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
SCHEMBL3928218 0.96 ALDH1A1 (0.51) KDM4EALDH1A1STAT3MEN1KMT2A
SCHEMBL3937733 0.96 ALDH1A1 (0.52) KDM4EALDH1A1STAT3MEN1KMT2A
SCHEMBL3938472 0.93 ALDH1A1 (0.48) KDM4EALDH1A1STAT3MEN1KMT2A
SCHEMBL3933440 0.93 PTGDR2 (0.54) KDM4EALDH1A1STAT3MEN1KMT2A
SCHEMBL3939227 0.93 ALDH1A1 (0.49) KDM4EALDH1A1STAT3MEN1KMT2A
SCHEMBL4014322 0.92 PTGDR2 (0.55) ALDH1A1SMN1; SMN2PTGDR2LMNA
SCHEMBL3937412 0.91 ALDH1A1 (0.62) KDM4EALDH1A1STAT3MEN1KMT2A
SCHEMBL3931978 0.90 MEN1 (0.54) KDM4EALDH1A1STAT3MEN1KMT2A
SCHEMBL3936631 0.89 ALDH1A1 (0.51) KDM4EALDH1A1STAT3KMT2ATP53
SCHEMBL3929988 0.88 KDM4E (0.50) KDM4EALDH1A1STAT3TP53SMN1; SMN2

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