SCHEMBL9019110

SCHEMBL9019110

N#CC(CC(O)O)C(=O)c1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALKBH5 Q6P6C2 1/20 0.46
CES1 P23141 3/20 0.44
LMNA P02545 2/20 0.44
CES2 O00748 2/20 0.44
MDM2 Q00987 1/20 0.42
TDP1 Q9NUW8 2/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
PGR P06401 1/20 0.39
ADRA2A P08913 1/20 0.39
ADRA2B P18089 1/20 0.39
HTR2A P28223 1/20 0.39
HRH1 P35367 1/20 0.39
KCNH2 Q12809 1/20 0.39
TSHR P16473 3/20 0.38
ALDH1A1 P00352 3/20 0.38
CYP3A4 P08684 2/20 0.38
HPGD P15428 2/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
ALPG P10696 1/20 0.37
MAPT P10636 2/20 0.37

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
SCHEMBL9018972 0.80 NPC1 (0.42) ALKBH5CES1LMNACES2MDM2
SCHEMBL31468333 0.80 PGR (0.47) ALKBH5CES1LMNACES2MDM2
SCHEMBL11147694 0.80 ALKBH5 (0.43) ALKBH5CES1LMNACES2MDM2
SCHEMBL7030603 0.79 MDM2 (0.59) MDM2ALDH1A1MAPTRAB9AKMT2A
SCHEMBL9854646 0.77 NR4A2 (0.44) ALKBH5CES1LMNACES2MDM2
SCHEMBL9019293 0.77 MDM2 (0.41) ALKBH5CES1LMNACES2MDM2
SCHEMBL7342834 0.75 LMNA (0.52) ALKBH5CES1LMNACES2MDM2
SCHEMBL23091851 0.72 TDP1 (0.50) ALKBH5CES1LMNACES2MDM2
SCHEMBL408412 0.72 TDP1 (0.50) ALKBH5CES1LMNACES2MDM2
SCHEMBL9715043 0.71 SMN1; SMN2 (0.48) LMNATDP1PGRADRA2AADRA2B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0434940-B1 N-oxygenated arylpyrrole, insecticidal, acaricidal and nematicidal agents AMERICAN CYANAMID CO (US) 1996-05-29 EP claimed
EP-0434940-B1 N-oxygenated arylpyrrole, insecticidal, acaricidal and nematicidal agents AMERICAN CYANAMID CO (US) 1996-05-29 EP disclosed
US-5399716-A N-oxygenated arylpyrrole insecticidal, acaricidal and nematicidal agents AMERICAN CYANAMID COMPANY (US) 1995-03-21 US disclosed
US-5347016-A N-oxygenated arylpyrrole intermediates for insecticidal, acaricidal and nematicidal agents AMERICAN CYANAMID COMPANY (US) 1994-09-13 US disclosed
US-5232979-A Insecticides, miticides, nematocides AMERICAN CYANAMID COMPANY (US) 1993-08-03 US disclosed
US-5102904-A N-OXYGENATED ARYLPYRROLE INSECTICIDAL, ACARICIDAL AND NEMATICIDAL AGENTS AND USE THEREAS AMERICAN CYANAMID COMPANY (US) 1992-04-07 US disclosed
EP-0434940-A2 N-oxygenated arylpyrrole, insecticidal, acaricidal and nematicidal agents AMERICAN CYANAMID COMPANY (US) 1991-07-03 EP disclosed