Umbelliferone

Umbelliferone

SCHEMBL5320528

CC(C)CC(=O)c1ccc(OCc2cccc(Oc3ccc4ccc(=O)oc4c3)c2)c(Br)c1O.O=c1ccc2ccc(O)cc2o1

nearest known ligand 0.48

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRM2 Q14416 6/20 0.48
NPC1 O15118 2/20 0.48
RAB9A P51151 1/20 0.48
POLB P06746 1/20 0.43
MAOB P27338 3/20 0.41
MAOA P21397 2/20 0.41
MEN1 O00255 1/20 0.41
CA12 O43570 1/20 0.41
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
CA3 P07451 1/20 0.41
CA4 P22748 1/20 0.41
CA6 P23280 1/20 0.41
CA7 P43166 1/20 0.41
MTNR1A P48039 1/20 0.41
KMT2A Q03164 1/20 0.41
CA9 Q16790 1/20 0.41
CA14 Q9ULX7 1/20 0.41
RXFP1 Q9HBX9 1/20 0.40
KDM4E B2RXH2 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
SCHEMBL4941445 0.98 GRM2 (0.50) GRM2NPC1RAB9APOLBMAOB
SCHEMBL4944565 0.81 GRM2 (0.61) GRM2MAOBMAOACA12CA1
SCHEMBL4941654 0.81 GRM2 (0.64) GRM2MAOBMAOACA12CA1
SCHEMBL4943903 0.78 GRM2 (0.69) GRM2
SCHEMBL18472943 0.72 GRM2 (0.55) GRM2
SCHEMBL4937704 0.72 GRM2 (0.63) GRM2
SCHEMBL18494153 0.71 GRM2 (0.58) GRM2
SCHEMBL6355681 0.67 GRM2 (0.67) GRM2
SCHEMBL4944017 0.67 NPC1 (0.60) NPC1RAB9APOLBMAOBMAOA
SCHEMBL18472896 0.66 GRM2 (0.66) GRM2

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-1773774-A2 HETEROCYCLIC ACETOPHENONE POTENTIATORS OF METABOTROPIC GLUTAMATE RECEPTORS Merck & Co., Inc. (US) 2007-04-18 EP disclosed
WO-2006014918-A2 HETEROCYCLIC ACETOPHENONE POTENTIATORS OF METABOTROPIC GLUTAMATE RECEPTORS MERCK & CO., INC. (US) 2006-02-09 WO disclosed