SCHEMBL3933440

SCHEMBL3933440

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

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 2/20 0.54
ALDH1A1 P00352 6/20 0.48
KDM4E B2RXH2 2/20 0.48
STAT3 P40763 1/20 0.48
GAA P10253 3/20 0.48
CYP3A4 P08684 3/20 0.48
CYP2C19 P33261 3/20 0.48
CYP2D6 P10635 2/20 0.48
CYP2C9 P11712 2/20 0.48
SMN1; SMN2 Q16637 4/20 0.47
MEN1 O00255 3/20 0.47
KMT2A Q03164 3/20 0.47
LMNA P02545 2/20 0.47
MAPT P10636 1/20 0.47
MCOLN3 Q8TDD5 1/20 0.44
CNR1 P21554 1/20 0.44
POLB P06746 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
CYP1A2 P05177 1/20 0.44
TSHR P16473 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
SCHEMBL3934199 0.93 KDM4E (0.54) PTGDR2ALDH1A1KDM4ESTAT3SMN1; SMN2
SCHEMBL3936773 0.92 PTGDR2 (0.60) PTGDR2ALDH1A1KDM4ESTAT3GAA
SCHEMBL3928218 0.90 ALDH1A1 (0.51) PTGDR2ALDH1A1KDM4ESTAT3GAA
SCHEMBL3937733 0.89 ALDH1A1 (0.52) ALDH1A1KDM4ESTAT3GAACYP3A4
SCHEMBL3938472 0.87 ALDH1A1 (0.48) ALDH1A1KDM4ESTAT3GAASMN1; SMN2
SCHEMBL3939227 0.87 ALDH1A1 (0.49) PTGDR2ALDH1A1KDM4ESTAT3GAA
SCHEMBL4014322 0.85 PTGDR2 (0.55) PTGDR2ALDH1A1GAASMN1; SMN2LMNA
SCHEMBL3937412 0.85 ALDH1A1 (0.62) ALDH1A1KDM4ESTAT3GAACYP3A4
SCHEMBL3931978 0.84 MEN1 (0.54) PTGDR2ALDH1A1KDM4ESTAT3SMN1; SMN2
SCHEMBL3936631 0.83 ALDH1A1 (0.51) PTGDR2ALDH1A1KDM4ESTAT3GAA

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