SCHEMBL8546356

SCHEMBL8546356

CC(C)(C)OC(=O)N1CCC(Oc2ccc(CC(=O)O)cc2)CC1

nearest known ligand 0.60

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 6/20 0.60
EPHX2 P34913 1/20 0.54
CHEK2 O96017 1/20 0.49
USP30 Q70CQ3 1/20 0.49
ALDH1A1 P00352 1/20 0.48
PDE4A P27815 1/20 0.47
PDE4B Q07343 1/20 0.47
PDE4C Q08493 1/20 0.47
PDE4D Q08499 1/20 0.47
HRH3 Q9Y5N1 1/20 0.47
STS P08842 1/20 0.47
KDM4E B2RXH2 1/20 0.46
PKM P14618 1/20 0.46

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
SCHEMBL3903090 0.93 USP30 (0.55) GPR119EPHX2CHEK2USP30ALDH1A1
SCHEMBL1373456 0.90 GPR119 (0.60) GPR119CHEK2USP30ALDH1A1PDE4A
SCHEMBL4111965 0.88 GPR119 (0.58) GPR119EPHX2CHEK2USP30PDE4A
SCHEMBL5687602 0.88 GPR119 (0.58) GPR119CHEK2ALDH1A1PDE4APDE4B
SCHEMBL23373231 0.88 GPR119 (0.63) GPR119CHEK2USP30ALDH1A1PDE4A
SCHEMBL3342716 0.88 GPR119 (0.66) GPR119CHEK2USP30ALDH1A1PDE4A
SCHEMBL3342725 0.86 GPR119 (0.61) GPR119CHEK2USP30ALDH1A1PDE4A
SCHEMBL22533161 0.86 GPR119 (0.61) GPR119CHEK2USP30ALDH1A1PDE4A
SCHEMBL3344947 0.86 GPR119 (0.61) GPR119CHEK2USP30ALDH1A1PDE4A
SCHEMBL28504355 0.86 GPR119 (0.61) GPR119CHEK2USP30ALDH1A1PDE4A

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-0805681-A4 TOCOLYTIC OXYTOCIN RECEPTOR ANTAGONISTS MERCK & CO INC (US) 1998-05-06 EP disclosed
EP-0805681-A1 TOCOLYTIC OXYTOCIN RECEPTOR ANTAGONISTS Merck & Co., Inc. (US) 1997-11-12 EP disclosed