SCHEMBL4013174

SCHEMBL4013174

O=C(O)Cc1cccc(C2=C(C3CCCCC3)CCN(S(=O)(=O)c3ccc(F)cc3)C2)c1

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 7/20 0.43
KDM4E B2RXH2 4/20 0.42
GAA P10253 2/20 0.42
KMT2A Q03164 4/20 0.42
MEN1 O00255 2/20 0.42
L3MBTL1 Q9Y468 1/20 0.41
MAPT P10636 2/20 0.39
AKR1C3 P42330 1/20 0.39
ALDH1A1 P00352 2/20 0.39
USP2 O75604 1/20 0.39
ALOX15 P16050 1/20 0.39
TSHR P16473 1/20 0.39
EPHX2 P34913 1/20 0.39
PKM P14618 1/20 0.39

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
SCHEMBL14366673 0.90 PKM (0.44) KDM4EGAAKMT2AMEN1L3MBTL1
SCHEMBL4013731 0.76 KDM4E (0.44) PTGDR2KDM4EGAAKMT2AMEN1
SCHEMBL4011931 0.75 KDM4E (0.46) PTGDR2KDM4EGAAKMT2AMEN1
SCHEMBL3929084 0.74 MAPT (0.55) PTGDR2KDM4EGAAKMT2AMEN1
SCHEMBL3938045 0.74 MAPT (0.55) PTGDR2KDM4EGAAKMT2AMEN1
SCHEMBL3941517 0.74 MAPT (0.55) PTGDR2KDM4EGAAKMT2AMEN1
SCHEMBL3942010 0.74 USP5 (0.61) PTGDR2KMT2ATSHRPKM
SCHEMBL3941072 0.73 MEN1 (0.60) KDM4EKMT2AMEN1MAPTAKR1C3
SCHEMBL4010336 0.73 KDM4E (0.41) PTGDR2KDM4EGAAKMT2AMEN1
SCHEMBL3938376 0.72 PTGDR2 (0.54) PTGDR2KMT2AMAPTTSHRPKM

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-2044017-A2 SUBSTITUTED PHENYL ACETIC ACIDS AS DP-2 ANTAGONISTS ICOS CORPORATION (US) 2009-04-08 EP disclosed
WO-2007146838-A2 SUBSTITUTED PHENYL ACETIC ACIDS AS DP-2 ANTAGONISTS ICOS CORPORATION (US) 2007-12-21 WO disclosed