SCHEMBL3937733

SCHEMBL3937733

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

nearest known ligand 0.60

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.52
KDM4E B2RXH2 3/20 0.52
STAT3 P40763 1/20 0.52
TP53 P04637 1/20 0.52
PKM P14618 1/20 0.52
L3MBTL1 Q9Y468 1/20 0.51
POLB P06746 3/20 0.50
LMNA P02545 2/20 0.50
MAPK1 P28482 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
KMT2A Q03164 2/20 0.49
MEN1 O00255 1/20 0.49
CYP1A2 P05177 1/20 0.48
CYP3A4 P08684 1/20 0.48
GAA P10253 1/20 0.48
CYP2D6 P10635 1/20 0.48
CYP2C19 P33261 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 0.96 KDM4E (0.54) ALDH1A1KDM4ESTAT3TP53PKM
SCHEMBL3928709 0.92 TP53 (0.55) ALDH1A1KDM4ESTAT3TP53PKM
SCHEMBL3928218 0.92 ALDH1A1 (0.51) ALDH1A1KDM4ESTAT3TP53PKM
SCHEMBL3937412 0.89 ALDH1A1 (0.62) ALDH1A1KDM4ESTAT3TP53PKM
SCHEMBL3938472 0.89 ALDH1A1 (0.48) ALDH1A1KDM4ESTAT3LMNASMN1; SMN2
SCHEMBL3933440 0.89 PTGDR2 (0.54) ALDH1A1KDM4ESTAT3POLBLMNA
SCHEMBL3939227 0.89 ALDH1A1 (0.49) ALDH1A1KDM4ESTAT3TP53SMN1; SMN2
SCHEMBL4014322 0.88 PTGDR2 (0.55) ALDH1A1POLBLMNAMAPK1SMN1; SMN2
SCHEMBL3931978 0.86 MEN1 (0.54) ALDH1A1KDM4ESTAT3TP53PKM
SCHEMBL3936631 0.85 ALDH1A1 (0.51) ALDH1A1KDM4ESTAT3TP53PKM

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