SCHEMBL5224488

SCHEMBL5224488

CCCCc1oc2ccc(C(=O)O)cc2c1C(=O)c1ccc(OCCCNCC(C)(C)C)cc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR1H4 Q96RI1 1/20 0.54
SIRT3 Q9NTG7 1/20 0.54
ESR1 P03372 1/20 0.54
PGR P06401 1/20 0.54
CHRM2 P08172 1/20 0.54
HTR1A P08908 1/20 0.54
ADRA2A P08913 1/20 0.54
ADORA3 P0DMS8 1/20 0.54
CHRM1 P11229 1/20 0.54
DRD1 P21728 1/20 0.54
TBXA2R P21731 1/20 0.54
SLC6A2 P23975 1/20 0.54
PDE4A P27815 1/20 0.54
SLC6A4 P31645 1/20 0.54
ADRA1A P35348 1/20 0.54
OPRM1 P35372 1/20 0.54
DRD3 P35462 1/20 0.54
SLC6A3 Q01959 1/20 0.54
KCNH2 Q12809 1/20 0.54
HRH3 Q9Y5N1 1/20 0.54

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
SCHEMBL5224041 0.92 SIRT3 (0.54) SIRT3ESR1PGRCHRM2HTR1A
SCHEMBL5264273 0.89 SIRT3 (0.53) SIRT3ESR1PGRCHRM2HTR1A
Hydrochloric Acid SCHEMBL10856449 0.87 SIRT3 (0.68) NR1H4SIRT3
SCHEMBL5671753 0.87 SIRT3 (0.53) SIRT3ESR1PGRCHRM2HTR1A
SCHEMBL10817132 0.86 SIRT3 (0.69) NR1H4SIRT3
Hydrochloric Acid SCHEMBL10853552 0.85 SIRT3 (0.68) NR1H4SIRT3
SCHEMBL5221622 0.84 NR1H4 (0.61) NR1H4ESR1PGRCHRM2HTR1A
SCHEMBL5228679 0.84 NR1H4 (0.61) NR1H4ESR1PGRCHRM2HTR1A
SCHEMBL10817352 0.83 SIRT3 (0.62) NR1H4SIRT3
Hydrochloric Acid SCHEMBL10848953 0.83 SIRT3 (0.61) NR1H4SIRT3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1315710-B1 AMINOALKOXYBENZOYL-BENZOFURAN OR BENZOTHIOPHENE DERIVATIVES, METHOD FOR PREPARING SAME AND COMPOSITIONS CONTAINING SAME SANOFI AVENTIS (FR) 2007-04-25 EP disclosed