SCHEMBL6947645

SCHEMBL6947645

COc1cc(OCc2ccccc2)cc(C(C=O)C(=O)C(=O)O)c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 4/20 0.49
KMT2A Q03164 3/20 0.48
MEN1 O00255 2/20 0.48
MRGPRX4 Q96LA9 2/20 0.44
FFAR1 O14842 1/20 0.44
PPARG P37231 1/20 0.44
PPARD Q03181 1/20 0.44
PPARA Q07869 1/20 0.44
L3MBTL1 Q9Y468 2/20 0.44
SMN1; SMN2 Q16637 2/20 0.43
APP P05067 1/20 0.42
TP53 P04637 1/20 0.42
PKM P14618 1/20 0.42
NFKB1 P19838 1/20 0.42
RAB9A P51151 1/20 0.42
NFKB2 Q00653 1/20 0.42
RELA Q04206 1/20 0.42
RXFP1 Q9HBX9 1/20 0.42
RRM1 P23921 1/20 0.42
GSK3B P49841 1/20 0.42

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 0.84 KMT2A (0.57) MAOBKMT2AFFAR1SMN1; SMN2PKM
SCHEMBL23906959 0.77 MAOB (0.79) MAOBKMT2AMEN1MRGPRX4L3MBTL1
SCHEMBL6947529 0.75 NR4A2 (0.56) MAOBKMT2AMEN1MRGPRX4SMN1; SMN2
SCHEMBL5552613 0.74 MAOB (0.65) MAOBKMT2AMEN1FFAR1PPARG
SCHEMBL31388310 0.74 MAOB (0.65) MAOBKMT2AMEN1FFAR1PPARG
SCHEMBL340452 0.74 MEN1 (0.84) MAOBKMT2AMEN1MRGPRX4SMN1; SMN2
SCHEMBL29788233 0.74 MEN1 (0.84) MAOBKMT2AMEN1MRGPRX4SMN1; SMN2
SCHEMBL5791635 0.74 MAOB (0.69) MAOBKMT2AMEN1MRGPRX4SMN1; SMN2
SCHEMBL6035486 0.73 LTB4R (0.61) MAOBKMT2AMEN1MRGPRX4FFAR1
SCHEMBL6195527 0.73 MAOB (0.59) MAOBKMT2AMEN1MRGPRX4FFAR1

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