SCHEMBL5084435

SCHEMBL5084435

O=CCC(C(=O)O)C(CC=O)C(=O)O

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.43
OR51E2 Q9H255 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.35
SLC1A3 P43003 1/20 0.32
SLC1A2 P43004 1/20 0.32
SLC1A1 P43005 1/20 0.32
TET2 Q6N021 3/20 0.32
KDM4A O75164 2/20 0.32
KDM4C Q9H3R0 2/20 0.32
KDM2A Q9Y2K7 2/20 0.32
TET3 O43151 1/20 0.32
LMNA P02545 2/20 0.32
ALKBH5 Q6P6C2 1/20 0.32
SUCNR1 Q9BXA5 1/20 0.32
EGLN1 Q9GZT9 1/20 0.32
TSHR P16473 1/20 0.30
ALDH1A1 P00352 1/20 0.30
THRB P10828 1/20 0.30
RECQL P46063 1/20 0.30

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
SCHEMBL31660956 0.87 TDP1 (0.67) TDP1SMN1; SMN2TET2KDM4AKDM4C
SCHEMBL4351614 0.84 SLC1A3 (0.46) TDP1OR51E2SLC1A3SLC1A2SLC1A1
SCHEMBL27849374 0.84 SLC1A3 (0.46) TDP1OR51E2SLC1A3SLC1A2SLC1A1
SCHEMBL15308391 0.84 TSHR (0.43) TDP1OR51E2SMN1; SMN2TET2KDM4A
SCHEMBL4347972 0.84 SLC1A3 (0.46) TDP1OR51E2SLC1A3SLC1A2SLC1A1
SCHEMBL27833944 0.82 TP53 (0.39) TDP1OR51E2SMN1; SMN2SLC1A3SLC1A2
SCHEMBL6129577 0.79
SCHEMBL6129552 0.79
SCHEMBL2720035 0.79
SCHEMBL6674991 0.78 ACE (0.40) TDP1SLC1A3SLC1A2SLC1A1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5384326-A Bactericides, fungicides ROHM AND HAAS COMPANY (US) 1995-01-24 US claimed
WO-2008077769-A1 PROCESS FOR THE SAFE OZONOLYSIS OF ORGANIC COMPOUNDS IN FLAMMABLE SOLVENTS DSM FINE CHEMICALS AUSTRIA NFG GMBH & CO KG (AT) 2008-07-03 WO disclosed
EP-1188735-B1 Process for producing carbonyl or hydroxy compound SUMITOMO CHEMICAL CO (JP) 2005-07-27 EP disclosed
US-20040152592-A1 Process for producing carbonyl or hydroxy compound SUMITOMO CHEMICAL COMPANY, LIMTED 2004-08-05 US disclosed
US-6703528-B2 CATALYTIC OXIDATION OF OLEFIN SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2004-03-09 US disclosed
EP-1188735-A1 Process for producing carbonyl or hydroxy compound SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2002-03-20 EP disclosed
US-20020025906-A1 Process for producing carbonyl or hydroxy compound SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2002-02-28 US disclosed
US-5384326-A Bactericides, fungicides ROHM AND HAAS COMPANY (US) 1995-01-24 US disclosed
US-4769464-A Process for the preparation of monocarbonyl or biscarbonyl compounds CHEMIE LINZ GESELLSCHAFT M.B.H. (AT) 1988-09-06 US disclosed