SCHEMBL6952151

SCHEMBL6952151

COc1ccc(-n2cc(CC(=O)O)c3ccccc32)cc1

nearest known ligand 0.56

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PLA2G4A P47712 5/20 0.56
SCN9A Q15858 4/20 0.53
MTNR1A P48039 1/20 0.51
MTNR1B P49286 1/20 0.51
ABCB1 P08183 4/20 0.49
NR4A2 P43354 1/20 0.49
RORC P51449 1/20 0.48
HTR7 P34969 1/20 0.47
HTR6 P50406 1/20 0.47
CDC25A P30304 1/20 0.47
TP53 P04637 1/20 0.46
MAPT P10636 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
SCHEMBL11840647 0.90 PLA2G4A (0.51) PLA2G4ASCN9AMTNR1AMTNR1BABCB1
SCHEMBL4263937 0.86 WNK1 (0.52) PLA2G4ASCN9AMTNR1AMTNR1BABCB1
SCHEMBL8454150 0.86 HTR7 (0.56) PLA2G4ASCN9ANR4A2RORCHTR7
SCHEMBL5609615 0.85 L3MBTL1 (0.54) PLA2G4ASCN9AMTNR1AMTNR1BABCB1
SCHEMBL31398364 0.82 SCN9A (0.69) PLA2G4ASCN9AMTNR1AMTNR1BABCB1
SCHEMBL8174123 0.80 PLA2G4A (0.52) PLA2G4AMTNR1AMTNR1BABCB1HTR6
SCHEMBL10946754 0.80 AKR1C3 (0.69) PLA2G4AMTNR1AMTNR1BABCB1HTR6
SCHEMBL8174658 0.80 HTR7 (0.58) SCN9ARORCHTR7CDC25A
SCHEMBL12918558 0.80 NR4A2 (0.63) PLA2G4ANR4A2RORCTP53MAPT
SCHEMBL7692305 0.80 CHRM1 (0.65) MTNR1AMTNR1BHTR6CDC25A

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
EP-1354887-A1 Ligands for metals and improved metal-catalyzed processes based thereon Massachusetts Insitute of Technology (US) 2003-10-22 EP disclosed