SCHEMBL5230729

SCHEMBL5230729

O=CCc1ccc(OCc2ccccc2)c(C(F)(F)F)c1OCc1ccccc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 1/20 0.41
NPC1 O15118 1/20 0.40
MAPT P10636 1/20 0.40
RAB9A P51151 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
CCNB2 O95067 1/20 0.40
CDK1 P06493 1/20 0.40
CDK4 P11802 1/20 0.40
CCNB1 P14635 1/20 0.40
CCND1 P24385 1/20 0.40
CCNB3 Q8WWL7 1/20 0.40
PTPN1 P18031 4/20 0.39
PTPN6 P29350 3/20 0.39
PTPN2 P17706 2/20 0.39
RXRA P19793 2/20 0.39
RXRB P28702 2/20 0.39
RXRG P48443 2/20 0.39
GRM2 Q14416 1/20 0.38
HTR1A P08908 1/20 0.37

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
SCHEMBL1827969 0.82 MAPK14 (0.37) MAPK14NPC1MAPTRAB9ASMN1; SMN2
SCHEMBL1830665 0.82 ELANE (0.38) MAPK14NPC1MAPTRAB9ASMN1; SMN2
SCHEMBL17141460 0.77 HTR2C (0.51) PTPN1PTPN6PTPN2RXRARXRB
SCHEMBL5810886 0.77 NPC1 (0.41) NPC1MAPTRAB9ASMN1; SMN2L3MBTL1
SCHEMBL2893555 0.76 MAPK14 (0.43) MAPK14MAPTRAB9ASMN1; SMN2L3MBTL1
SCHEMBL3848203 0.76 BCHE (0.51) SMN1; SMN2L3MBTL1HTR1ABCHE
SCHEMBL6888448 0.76 BCHE (0.51) SMN1; SMN2L3MBTL1HTR1ABCHE
SCHEMBL22973045 0.75 MAPT (0.52) NPC1MAPTRAB9ASMN1; SMN2L3MBTL1
SCHEMBL16096871 0.74 LMNA (0.50) MAPK14NPC1MAPTSMN1; SMN2L3MBTL1
SCHEMBL2892014 0.74 MAPT (0.56) MAPK14MAPTSMN1; SMN2L3MBTL1PTPN1

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-1817300-A1 POTENTIATORS OF GLUTAMATE RECEPTORS ELI LILLY AND COMPANY (US) 2007-08-15 EP disclosed
WO-2006057860-A1 POTENTIATORS OF GLUTAMATE RECEPTORS ELI LILLY AND COMPANY (US) 2006-06-01 WO disclosed