SCHEMBL3942906

SCHEMBL3942906

CC(C)(C)OC(=O)N(CCO)Cc1cc(CC(=O)O)ccc1O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SSTR4 P31391 1/20 0.44
GAA P10253 3/20 0.43
TSHR P16473 2/20 0.43
NFKB1 P19838 2/20 0.43
TDP1 Q9NUW8 2/20 0.43
ALDH1A1 P00352 1/20 0.43
KDM4E B2RXH2 1/20 0.42
RGS12 O14924 1/20 0.42
LMNA P02545 1/20 0.42
POLB P06746 1/20 0.42
MAPT P10636 1/20 0.42
HPGD P15428 1/20 0.42
APEX1 P27695 1/20 0.42
THPO P40225 1/20 0.42
BLM P54132 1/20 0.42
GNAI1 P63096 1/20 0.42
PMP22 Q01453 1/20 0.42
HIF1A Q16665 1/20 0.42
HSD17B10 Q99714 1/20 0.42
CA2 P00918 1/20 0.40

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
SCHEMBL3934276 0.88 ALDH1A1 (0.46) SSTR4GAATSHRNFKB1TDP1
SCHEMBL7852494 0.81 SSTR4 (0.52) SSTR4TSHRALDH1A1KDM4ELMNA
SCHEMBL30174862 0.81 SSTR4 (0.46) SSTR4LMNAMAPTHPGDBLM
SCHEMBL25516873 0.81 SSTR4 (0.46) SSTR4LMNAMAPTHPGDBLM
SCHEMBL25516985 0.81 SSTR4 (0.50) SSTR4HDAC3HDAC1HDAC2NCOR2
SCHEMBL30174644 0.81 SSTR4 (0.50) SSTR4HDAC3HDAC1HDAC2NCOR2
SCHEMBL27767983 0.78 SSTR4 (0.43) SSTR4GAAALDH1A1KDM4EHPGD
SCHEMBL4128906 0.76 GLS (0.42) SSTR4HDAC3HDAC1HDAC2NCOR2
SCHEMBL15055377 0.76 SSTR4 (0.54) SSTR4TSHRALDH1A1KDM4ELMNA
SCHEMBL2112935 0.75 HDAC3 (0.54) SSTR4ALDH1A1LMNAHDAC3HDAC1

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