SCHEMBL3934273

SCHEMBL3934273

COC(=O)Cc1ccc(O)c(CNC(CO)C(=O)OC(C)(C)C)c1

nearest known ligand 0.52

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ITGA4 P13612 5/20 0.52
ITGB7 P26010 5/20 0.52
ALDH1A1 P00352 1/20 0.45
GAA P10253 1/20 0.45
GFER P55789 1/20 0.45
PDCD1 Q15116 1/20 0.42
CD274 Q9NZQ7 1/20 0.42
EGFR P00533 2/20 0.40
CYP4F2 P78329 1/20 0.37
CYP4A11 Q02928 1/20 0.37
TLR7 Q9NYK1 3/20 0.37
HSP90AB1 P08238 1/20 0.36
YWHAG P61981 1/20 0.34
MTNR1A P48039 1/20 0.34
MTNR1B P49286 1/20 0.34

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
SCHEMBL2986153 0.79 ALDH1A1 (0.51) ALDH1A1GAAGFEREGFRCYP4F2
SCHEMBL8145260 0.73 ALDH1A1 (0.68) ALDH1A1GAAGFEREGFRCYP4F2
SCHEMBL13612621 0.73 ITGA4 (0.45) ITGA4ITGB7GAAPDCD1CD274
SCHEMBL27766064 0.73 ALDH1A1 (0.53) ITGA4ITGB7ALDH1A1GAAGFER
SCHEMBL17475162 0.72 ITGA4 (0.43) ITGA4ITGB7ALDH1A1GAAGFER
SCHEMBL17475159 0.72 ITGA4 (0.43) ITGA4ITGB7ALDH1A1GAAGFER
SCHEMBL3933326 0.72 ALDH1A1 (0.55) ALDH1A1GAAGFEREGFRCYP4F2
SCHEMBL13605104 0.72 EPHX2 (0.46) ITGA4ITGB7
SCHEMBL3934276 0.72 ALDH1A1 (0.46) ALDH1A1GAAGFEREGFRCYP4F2
SCHEMBL17761771 0.72 ITGA4 (0.58) ITGA4ITGB7ALDH1A1PDCD1CD274

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