SCHEMBL14610313

SCHEMBL14610313

CC(C)OC(=O)C1=CC[C@@H](CCCN2C(=O)OCC[C@@H]2CO)S1

nearest known ligand 0.31

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
▸ ADORA2B P29275 1/20 0.31

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
SCHEMBL4114149 0.75 PTGER4 (0.38) —
SCHEMBL2207699 0.73 ALDH1A1 (0.44) —
SCHEMBL4105346 0.73 KMT2A (0.34) ADORA2B
SCHEMBL13871659 0.65 KMT2A (0.34) ADORA2B
SCHEMBL14610314 0.65 KMT2A (0.33) —
SCHEMBL13871657 0.64 ALDH1A1 (0.34) —
SCHEMBL13871658 0.63 FLT3 (0.32) —
SCHEMBL4106475 0.63 PTGER4 (0.34) —
SCHEMBL13639149 0.62 PTGER3 (0.39) —
SCHEMBL4116123 0.61 PTGER4 (0.41) —

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2007014454-A1 EP4 RECEPTOR AGONIST, COMPOSITIONS AND METHODS THEREOF MERCK FROSST CANADA LTD. (CA) 2007-02-08 — — WO disclosed
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