SCHEMBL8288500

SCHEMBL8288500

Cc1c(-c2ccc(OCc3ccccc3)cc2)c(C(=O)O)n(C)c1C

nearest known ligand 0.51

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAOB P27338 1/20 0.51
NR4A2 P43354 2/20 0.50
NR4A1 P22736 1/20 0.50
NR4A3 Q92570 1/20 0.50
SRD5A2 P31213 2/20 0.47
MCL1 Q07820 2/20 0.47
GRIA2 P42262 1/20 0.47
GRIA4 P48058 1/20 0.47
DHODH Q02127 1/20 0.46
PTGER4 P35408 2/20 0.45
IKBKE Q14164 1/20 0.45
PLA2G4B P0C869 1/20 0.45
GSTP1 P09211 1/20 0.45
PARP10 Q53GL7 1/20 0.45
MDM2 Q00987 1/20 0.45
MMP12 P39900 1/20 0.44
EGFR P00533 1/20 0.44
LMNA P02545 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44

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
SCHEMBL8289439 0.76 GRIA4 (0.73) GRIA2GRIA4
SCHEMBL4471245 0.74 GRIA4 (0.50) GRIA2GRIA4
Bicarbonate SCHEMBL9638235 0.71 FFAR1 (0.71) MAOBNR4A2NR4A1NR4A3SRD5A2
SCHEMBL9126144 0.71 MAOB (0.90) MAOBNR4A2NR4A1NR4A3SRD5A2
SCHEMBL21484965 0.70 TSHR (0.55) LMNA
SCHEMBL4949143 0.70 NR4A2 (0.90) MAOBNR4A2NR4A1NR4A3SRD5A2
SCHEMBL22206786 0.70 FFAR1 (0.61) MAOBIKBKEGSTP1LMNAL3MBTL1
SCHEMBL16335060 0.70 L3MBTL1 (0.46) MAOBNR4A2NR4A1NR4A3SRD5A2
SCHEMBL22219371 0.70 LMNA (0.59) MAOBNR4A2NR4A1NR4A3MCL1
Hydrochloric Acid SCHEMBL8378883 0.69 NR4A2 (0.87) MAOBNR4A2NR4A1NR4A3SRD5A2

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-2005040110-A1 PYRROLE AND PYRAZOLE DERIVATIVES AS POTENTIATORS OF GLUTAMATE RECEPTORS ELI LILLY AND COMPANY (US) 2005-05-06 WO disclosed