SCHEMBL9751676

SCHEMBL9751676

O=C1OCC(O)(O)OC(=O)c2ccccc21

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOA P21397 2/20 0.41
MAOB P27338 2/20 0.41
TSHR P16473 4/20 0.40
ALDH1A1 P00352 4/20 0.40
EHMT2 Q96KQ7 2/20 0.40
L3MBTL1 Q9Y468 2/20 0.40
CA1 P00915 1/20 0.40
CA2 P00918 1/20 0.40
ALOX12 P18054 1/20 0.40
MAPK1 P28482 1/20 0.40
CASP1 P29466 1/20 0.40
CA7 P43166 1/20 0.40
RECQL P46063 1/20 0.40
BACE1 P56817 1/20 0.40
CA9 Q16790 1/20 0.40
ALOX15 P16050 2/20 0.39
TDP1 Q9NUW8 2/20 0.39
CFTR P13569 1/20 0.36
GOPC Q9HD26 1/20 0.36
TP53 P04637 2/20 0.36

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
SCHEMBL345495 0.78
SCHEMBL29054066 0.76 IDO1 (0.41) MAOAMAOBTSHRALDH1A1L3MBTL1
SCHEMBL11577792 0.72 MAOA (0.45) MAOAMAOBTSHRALDH1A1MAPK1
SCHEMBL6322451 0.72 MAOA (0.37) MAOAMAOBTSHRALDH1A1L3MBTL1
SCHEMBL31297120 0.68 MAOA (0.41) MAOAMAOBTSHRALDH1A1MAPK1
SCHEMBL5137019 0.68 PKM (0.58) MAOAMAOBTSHRALDH1A1EHMT2
SCHEMBL3733365 0.68 ALOX15 (0.55) MAOAMAOBTSHRALDH1A1EHMT2
Hydrochloric Acid SCHEMBL23174308 0.66 ALOX15 (0.52) MAOAMAOBTSHRALDH1A1EHMT2
SCHEMBL1434255 0.66 ALOX15 (0.52) MAOAMAOBTSHRALDH1A1EHMT2
SCHEMBL13415918 0.64 MAOA (0.50) MAOAMAOBTSHRALDH1A1EHMT2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0428722-A4 PREPARATION OF A POLYETHYLENE PHTHALATE OR A POLYETHYLENE NAPHTHALATE 1991-11-06 EP disclosed
EP-0428722-A1 PREPARATION OF A POLYETHYLENE PHTHALATE OR A POLYETHYLENE NAPHTHALATE AMOCO CORPORATION (US) 1991-05-29 EP disclosed
WO-1990014375-A1 PREPARATION OF A POLYETHYLENE PHTHALATE OR A POLYETHYLENE NAPHTHALATE AMOCO CORPORATION (US) 1990-11-29 WO disclosed