SCHEMBL7570523

SCHEMBL7570523

CCCCOC(=O)OCCOc1ccccc1

nearest known ligand 0.61

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 2/20 0.61
PKM P14618 1/20 0.54
TSHR P16473 2/20 0.53
L3MBTL1 Q9Y468 2/20 0.53
TDP1 Q9NUW8 2/20 0.53
RAB9A P51151 2/20 0.53
TP53 P04637 1/20 0.53
THRB P10828 1/20 0.53
MAPT P10636 1/20 0.53
FAAH O00519 5/20 0.52
MEN1 O00255 1/20 0.52
NPC1 O15118 1/20 0.52
KMT2A Q03164 1/20 0.52

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
SCHEMBL4900332 0.88 THRB (0.65) PKMTSHRL3MBTL1RAB9ATP53
SCHEMBL11315331 0.86 TSHR (0.76) LTA4HPKMTSHRL3MBTL1TDP1
Acetic Acid Butyl Ester SCHEMBL27968251 0.85 LTA4H (0.62) LTA4HTSHRL3MBTL1TDP1TP53
Acetic Acid SCHEMBL27494964 0.84 LTA4H (0.71) LTA4HPKMTSHRL3MBTL1TP53
Acetone SCHEMBL28189561 0.84 LTA4H (0.71) LTA4HPKMTSHRL3MBTL1TP53
Bicarbonate SCHEMBL28258920 0.84 LTA4H (0.71) LTA4HPKMTSHRTP53FAAH
SCHEMBL18297775 0.84 MAPT (0.67) LTA4HPKMTSHRL3MBTL1TDP1
SCHEMBL11655422 0.83 LTA4H (0.61) LTA4HTSHRFAAH
SCHEMBL7647369 0.83 LTA4H (0.61) LTA4HTSHRL3MBTL1TDP1TP53
SCHEMBL21834924 0.83 LTA4H (0.56) LTA4HPKMTSHRL3MBTL1TDP1

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-1077981-B1 NOVEL CEPHALOSPORIN COMPOUNDS, PROCESSES FOR PREPARATION THEREOF AND ANTIMICROBIAL COMPOSITIONS CONTAINING THE SAME LG CHEMICAL LTD (KR) 2002-08-07 EP disclosed
EP-1077981-A1 NOVEL CEPHALOSPORIN COMPOUNDS, PROCESSES FOR PREPARATION THEREOF AND ANTIMICROBIAL COMPOSITIONS CONTAINING THE SAME LG CHEMICAL LIMITED (KR) 2001-02-28 EP disclosed
WO-1999058535-A1 NOVEL CEPHALOSPORIN COMPOUNDS, PROCESSES FOR PREPARATION THEREOF AND ANTIMICROBIAL COMPOSITIONS CONTAINING THE SAME LG CHEMICAL LTD. (KR) 1999-11-18 WO disclosed