SCHEMBL6143133

SCHEMBL6143133

CCC(C(=O)OC(C)C)C(C)O

nearest known ligand 0.39

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.39
LMNA P02545 2/20 0.36
ALOX15 P16050 1/20 0.33
HCAR2 Q8TDS4 1/20 0.31
MAPT P10636 1/20 0.30
FAAH O00519 1/20 0.30

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
SCHEMBL28897693 0.88 TSHR (0.43) TSHRLMNAALOX15HCAR2
SCHEMBL15443233 0.84 TSHR (0.40) TSHRLMNAALOX15HCAR2
SCHEMBL28418030 0.82 TSHR (0.39) TSHRLMNAALOX15HCAR2
SCHEMBL8980120 0.82 TSHR (0.39) TSHRLMNAALOX15HCAR2
SCHEMBL15015655 0.80 TSHR (0.37) TSHRLMNAALOX15HCAR2MAPT
SCHEMBL3700073 0.79 ALDH1A1 (0.42) TSHRLMNAALOX15
SCHEMBL30561836 0.79 CA1 (0.42) TSHR
SCHEMBL638162 0.79 ALDH1A1 (0.42) TSHRLMNAALOX15
SCHEMBL18359202 0.79 CA1 (0.42) TSHR
SCHEMBL5079956 0.79 CA1 (0.42) TSHR

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-1492764-A2 NEW PROCESS AstraZeneca AB (SE) 2005-01-05 EP disclosed
WO-2003082812-A2 PROCESS FOR THE PREPARATION OF 2-ETHOXY-3-[4-(2-{METHANESULPHONYLOXYPHENYL}ETHOXY) PHENIL] PROPANOIC ACID ASTRAZENECA AB (SE) 2003-10-09 WO disclosed