SCHEMBL9765684

SCHEMBL9765684

COc1cccc(C(C(=O)O)C(=O)O)c1

nearest known ligand 0.55

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.55
MTNR1A P48039 4/20 0.52
MTNR1B P49286 4/20 0.52
SRC P12931 1/20 0.52
CES2 O00748 1/20 0.52
CES1 P23141 1/20 0.52
PTGS1 P23219 1/20 0.51
NPC1 O15118 1/20 0.51
RAB9A P51151 1/20 0.51
LMNA P02545 1/20 0.50
AOC3 Q16853 1/20 0.49
PARP1 P09874 1/20 0.49
TDP1 Q9NUW8 1/20 0.48
POLB P06746 1/20 0.48

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
SCHEMBL7743641 0.91 MTNR1A (0.52) L3MBTL1MTNR1AMTNR1BCES2CES1
SCHEMBL2400875 0.91 L3MBTL1 (0.59) L3MBTL1MTNR1AMTNR1BCES2CES1
SCHEMBL8534165 0.90 L3MBTL1 (0.50) L3MBTL1MTNR1AMTNR1BCES2CES1
SCHEMBL18978189 0.90 L3MBTL1 (0.50) L3MBTL1MTNR1AMTNR1BCES2CES1
SCHEMBL18978188 0.87 L3MBTL1 (0.48) L3MBTL1MTNR1AMTNR1BCES2CES1
SCHEMBL10382783 0.87 L3MBTL1 (0.48) L3MBTL1MTNR1AMTNR1BCES2CES1
SCHEMBL24765275 0.85 L3MBTL1 (0.55) L3MBTL1MTNR1AMTNR1BCES2CES1
SCHEMBL361183 0.84 PTGS1 (0.73) L3MBTL1MTNR1AMTNR1BCES2CES1
SCHEMBL503788 0.84 L3MBTL1 (0.58) L3MBTL1MTNR1AMTNR1BCES2CES1
SCHEMBL10629616 0.84 PTGS1 (0.73) L3MBTL1MTNR1AMTNR1BCES2CES1

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
US-5063225-A Antiarrhythmia ROUSSEL UCLAF (FR) 1991-11-05 US disclosed