SCHEMBL6947529

SCHEMBL6947529

O=CC(C(=O)C(=O)O)c1cccc(OCc2ccc(F)cc2)c1

nearest known ligand 0.56

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
NR4A2 P43354 2/20 0.56
MAOB P27338 6/20 0.54
MAOA P21397 2/20 0.54
KMT2A Q03164 5/20 0.50
MEN1 O00255 3/20 0.50
HPD P32754 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.47
MRGPRX4 Q96LA9 1/20 0.45
TLR4 O00206 1/20 0.45
TLR2 O60603 1/20 0.45
GPR34 Q9UPC5 2/20 0.44
POLB P06746 1/20 0.44
LMNA P02545 1/20 0.44
RXFP1 Q9HBX9 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
SCHEMBL6951337 0.90 KMT2A (0.57) NR4A2MAOBMAOAKMT2ASMN1; SMN2
SCHEMBL6946998 0.88 MAOB (0.45) NR4A2MAOBMAOAKMT2ASMN1; SMN2
SCHEMBL6472275 0.79 MAOB (0.60) NR4A2MAOBMAOAKMT2AMEN1
SCHEMBL6471083 0.78 NR4A2 (0.61) NR4A2MAOBMAOAKMT2AMEN1
SCHEMBL6947645 0.75 MAOB (0.49) MAOBMAOAKMT2AMEN1SMN1; SMN2
SCHEMBL2839915 0.74 NR4A2 (0.56) NR4A2MAOBMAOAKMT2AMEN1
SCHEMBL15340853 0.74 MAOB (0.65) NR4A2MAOBMAOAKMT2AMEN1
SCHEMBL1168262 0.72 NR4A2 (1.00) NR4A2MAOBKMT2AHPDSMN1; SMN2
SCHEMBL2499037 0.72 MAOB (0.83) NR4A2MAOBMAOAKMT2AMEN1
SCHEMBL6471015 0.72 MAOB (0.56) NR4A2MAOBMAOAKMT2AMEN1

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1082121-A4 HIV INTEGRASE INHIBITORS MERCK & CO INC (US) 2003-02-05 EP claimed
EP-1082121-A1 HIV INTEGRASE INHIBITORS Merck & Co., Inc. (US) 2001-03-14 EP claimed
WO-1999062520-A1 HIV INTEGRASE INHIBITORS MERCK & CO., INC. (US) 1999-12-09 WO claimed
EP-1082121-A4 HIV INTEGRASE INHIBITORS MERCK & CO INC (US) 2003-02-05 EP disclosed
EP-1082121-A1 HIV INTEGRASE INHIBITORS Merck & Co., Inc. (US) 2001-03-14 EP disclosed
WO-1999062520-A1 HIV INTEGRASE INHIBITORS MERCK & CO., INC. (US) 1999-12-09 WO disclosed