SCHEMBL3936631

SCHEMBL3936631

COC(=O)Cc1ccc(OCC2CC2)c(CN2CCN(S(=O)(=O)c3ccc(C)cc3)CC2)c1

nearest known ligand 0.51

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.51
KDM4E B2RXH2 3/20 0.51
STAT3 P40763 1/20 0.51
TP53 P04637 2/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
MAPT P10636 1/20 0.46
THRB P10828 1/20 0.46
PKM P14618 2/20 0.45
HTT P42858 2/20 0.45
PTGDR2 Q9Y5Y4 2/20 0.45
LMNA P02545 1/20 0.44
GAA P10253 1/20 0.44
TSHR P16473 1/20 0.44
KMT2A Q03164 1/20 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
SCHEMBL3925705 0.91 PTGDR2 (0.50) ALDH1A1KDM4ESTAT3TP53SMN1; SMN2
SCHEMBL3934199 0.89 KDM4E (0.54) ALDH1A1KDM4ESTAT3TP53SMN1; SMN2
SCHEMBL3937412 0.88 ALDH1A1 (0.62) ALDH1A1KDM4ESTAT3TP53SMN1; SMN2
SCHEMBL3936875 0.87 PTGDR2 (0.48) ALDH1A1KDM4ESTAT3TP53SMN1; SMN2
SCHEMBL3928218 0.86 ALDH1A1 (0.51) ALDH1A1KDM4ESTAT3TP53SMN1; SMN2
SCHEMBL3927288 0.86 ALDH1A1 (0.51) ALDH1A1KDM4ESTAT3TP53SMN1; SMN2
SCHEMBL3929988 0.85 KDM4E (0.50) ALDH1A1KDM4ESTAT3TP53SMN1; SMN2
SCHEMBL3937733 0.85 ALDH1A1 (0.52) ALDH1A1KDM4ESTAT3TP53SMN1; SMN2
SCHEMBL3939227 0.84 ALDH1A1 (0.49) ALDH1A1KDM4ESTAT3TP53SMN1; SMN2
SCHEMBL3938472 0.83 ALDH1A1 (0.48) ALDH1A1KDM4ESTAT3SMN1; SMN2MAPT

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