SCHEMBL4010336

SCHEMBL4010336

O=C(O)Cc1cccc(C2=CN(S(=O)(=O)c3ccc(F)cc3)CCC2)c1

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.41
PTGDR2 Q9Y5Y4 7/20 0.38
PKM P14618 3/20 0.38
ALDH1A1 P00352 3/20 0.38
USP2 O75604 1/20 0.38
GAA P10253 1/20 0.38
ALOX15 P16050 1/20 0.38
TSHR P16473 1/20 0.38
PTGS2 P35354 1/20 0.37
KMT2A Q03164 2/20 0.37
MEN1 O00255 1/20 0.37
MAPT P10636 1/20 0.37
RORC P51449 1/20 0.37
EGFR P00533 1/20 0.36
ERBB2 P04626 1/20 0.36

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
SCHEMBL4013731 0.78 KDM4E (0.44) KDM4EPTGDR2PKMALDH1A1USP2
SCHEMBL4011931 0.77 KDM4E (0.46) KDM4EPTGDR2PKMALDH1A1USP2
SCHEMBL4013174 0.73 PTGDR2 (0.43) KDM4EPTGDR2PKMALDH1A1USP2
SCHEMBL4018421 0.73 PLA2G10 (0.42) PTGDR2ALDH1A1PTGS2EGFRERBB2
SCHEMBL4021518 0.73 PTGS2 (0.48) PTGDR2PKMALDH1A1PTGS2EGFR
SCHEMBL14366676 0.70 GAA (0.37) ALDH1A1GAAPTGS2KMT2AMAPT
SCHEMBL5269627 0.70 GRIN2D (0.57) PTGDR2GAATSHRPTGS2
SCHEMBL3942010 0.69 USP5 (0.61) PTGDR2PKMTSHRKMT2A
SCHEMBL4014386 0.69 HTR6 (0.56)
SCHEMBL3928274 0.69 TRPA1 (0.57) ALDH1A1USP2TSHRMAPT

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 5 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 claimed
WO-2007146838-A2 SUBSTITUTED PHENYL ACETIC ACIDS AS DP-2 ANTAGONISTS ICOS CORPORATION (US) 2007-12-21 WO claimed
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
WO-2007146838-A2 SUBSTITUTED PHENYL ACETIC ACIDS AS DP-2 ANTAGONISTS ICOS CORPORATION (US) 2007-12-21 WO disclosed