SCHEMBL3934276

SCHEMBL3934276

COC(=O)Cc1ccc(O)c(CN(CCO)C(=O)OC(C)(C)C)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.46
GAA P10253 2/20 0.46
GFER P55789 1/20 0.46
SSTR4 P31391 1/20 0.43
CYP4F2 P78329 1/20 0.41
CYP4A11 Q02928 1/20 0.41
TLR7 Q9NYK1 2/20 0.37
HSP90AB1 P08238 1/20 0.37
EGFR P00533 3/20 0.36
HDAC3 O15379 1/20 0.35
HDAC1 Q13547 1/20 0.35
HDAC2 Q92769 1/20 0.35
NCOR2 Q9Y618 1/20 0.35
MTNR1A P48039 1/20 0.35
MTNR1B P49286 1/20 0.35
KMT2A Q03164 1/20 0.35
MAPT P10636 2/20 0.34
TSHR P16473 2/20 0.34
HPGD P15428 1/20 0.34
LMNA P02545 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
SCHEMBL3942906 0.88 SSTR4 (0.44) ALDH1A1GAASSTR4HDAC3HDAC1
SCHEMBL25516873 0.80 SSTR4 (0.46) SSTR4KMT2AMAPTHPGDLMNA
SCHEMBL30174862 0.80 SSTR4 (0.46) SSTR4KMT2AMAPTHPGDLMNA
SCHEMBL7852494 0.80 SSTR4 (0.52) ALDH1A1SSTR4EGFRTSHRHPGD
SCHEMBL30174644 0.79 SSTR4 (0.50) SSTR4HDAC3HDAC1HDAC2NCOR2
SCHEMBL25516985 0.79 SSTR4 (0.50) SSTR4HDAC3HDAC1HDAC2NCOR2
SCHEMBL1801696 0.78 HDAC1 (0.42) ALDH1A1GAAGFERTLR7HDAC3
SCHEMBL27767983 0.78 SSTR4 (0.43) ALDH1A1GAASSTR4KMT2AHPGD
SCHEMBL13849611 0.77 TLR7 (0.42) SSTR4CYP4F2CYP4A11TLR7HDAC3
SCHEMBL1800461 0.75 PTGDR2 (0.46) ALDH1A1MTNR1AMTNR1BKMT2AMAPT

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101490001-A Substituted phenylacetic acids as DP-2 antagonists ICOS CORP (US) 2009-07-22 CN disclosed
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