SCHEMBL6594789

SCHEMBL6594789

CCCCc1oc2ccc(C(=O)O)cc2c1C(=O)c1ccc(/C=C/CN(CCCC)CCCC)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 1/20 0.50
PGR P06401 1/20 0.50
CHRM2 P08172 1/20 0.50
HTR1A P08908 1/20 0.50
ADRA2A P08913 1/20 0.50
ADORA3 P0DMS8 1/20 0.50
CHRM1 P11229 1/20 0.50
DRD1 P21728 1/20 0.50
TBXA2R P21731 1/20 0.50
SLC6A2 P23975 1/20 0.50
PDE4A P27815 1/20 0.50
SLC6A4 P31645 1/20 0.50
ADRA1A P35348 1/20 0.50
OPRM1 P35372 1/20 0.50
DRD3 P35462 1/20 0.50
SLC6A3 Q01959 1/20 0.50
KCNH2 Q12809 1/20 0.50
HRH3 Q9Y5N1 1/20 0.50
ABCB11 O95342 1/20 0.49
KCNA5 P22460 1/20 0.49

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
SCHEMBL6141657 1.00 ESR1 (0.50) ESR1PGRCHRM2HTR1AADRA2A
SCHEMBL6141658 1.00 ESR1 (0.50) ESR1PGRCHRM2HTR1AADRA2A
Oxalic Acid SCHEMBL6140572 0.98 ESR1 (0.49) ESR1PGRCHRM2HTR1AADRA2A
Oxalic Acid SCHEMBL6140582 0.98 ESR1 (0.49) ESR1PGRCHRM2HTR1AADRA2A
SCHEMBL6594827 0.92 ESR1 (0.49) ESR1PGRCHRM2HTR1AADRA2A
SCHEMBL6594825 0.92 ESR1 (0.49) ESR1PGRCHRM2HTR1AADRA2A
SCHEMBL6598997 0.91 ESR1 (0.46) ESR1PGRCHRM2HTR1AADRA2A
SCHEMBL6598994 0.91 ESR1 (0.46) ESR1PGRCHRM2HTR1AADRA2A
Oxalic Acid SCHEMBL6140513 0.91 ESR1 (0.47) ESR1PGRCHRM2HTR1AADRA2A
Oxalic Acid SCHEMBL6140507 0.91 ESR1 (0.47) ESR1PGRCHRM2HTR1AADRA2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1315708-B1 AMINOALKENYLBENZOYL-BENZOFURAN OR BENZOTHIOPHENE DERIVATIVES, METHOD FOR PREPARING SAME AND COMPOSITIONS CONTAINING SAME SANOFI SYNTHELABO (FR) 2004-08-11 EP claimed
EP-1315708-A1 AMINOALKENYLBENZOYL-BENZOFURAN OR BENZOTHIOPHENE DERIVATIVES, METHOD FOR PREPARING SAME AND COMPOSITIONS CONTAINING SAME SANOFI-SYNTHELABO (FR) 2003-06-04 EP claimed
WO-2002016338-A1 AMINOALKENYLBENZOYL-BENZOFURAN OR BENZOTHIOPHENE DERIVATIVES, METHOD FOR PREPARING SAME AND COMPOSITIONS CONTAINING SAME SANOFI-SYNTHELABO (FR) 2002-02-28 WO claimed
EP-1315708-B1 AMINOALKENYLBENZOYL-BENZOFURAN OR BENZOTHIOPHENE DERIVATIVES, METHOD FOR PREPARING SAME AND COMPOSITIONS CONTAINING SAME SANOFI SYNTHELABO (FR) 2004-08-11 EP disclosed
EP-1315708-A1 AMINOALKENYLBENZOYL-BENZOFURAN OR BENZOTHIOPHENE DERIVATIVES, METHOD FOR PREPARING SAME AND COMPOSITIONS CONTAINING SAME SANOFI-SYNTHELABO (FR) 2003-06-04 EP disclosed
WO-2002016338-A1 AMINOALKENYLBENZOYL-BENZOFURAN OR BENZOTHIOPHENE DERIVATIVES, METHOD FOR PREPARING SAME AND COMPOSITIONS CONTAINING SAME SANOFI-SYNTHELABO (FR) 2002-02-28 WO disclosed