SCHEMBL3249588

SCHEMBL3249588

CCCCc1cc2c(C(=O)O)cccc2o1

nearest known ligand 0.48

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 13/20 0.48
MTNR1B P49286 13/20 0.48
ALOX15 P16050 1/20 0.46
CES2 O00748 1/20 0.44
TLR8 Q9NR97 1/20 0.41
EYA3 Q99504 2/20 0.41
PTPN1 P18031 1/20 0.40
TTR P02766 1/20 0.40

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
SCHEMBL5674402 0.85 MTNR1A (0.46) MTNR1AMTNR1BALOX15CES2
SCHEMBL3311488 0.80 NR4A1 (0.42) MTNR1AMTNR1BALOX15PTPN1TTR
SCHEMBL28382464 0.79 ALOX15 (0.50) MTNR1AMTNR1BALOX15CES2TLR8
SCHEMBL30669430 0.78 ALDH1A1 (0.44) MTNR1AMTNR1BALOX15CES2
SCHEMBL29164230 0.78 ALDH1A1 (0.44) MTNR1AMTNR1BALOX15CES2
SCHEMBL3247995 0.77 TLR8 (0.48) TLR8
SCHEMBL28615153 0.76 ALOX15 (0.43) MTNR1AMTNR1BALOX15TLR8EYA3
SCHEMBL7171635 0.75 MTNR1A (0.55) MTNR1AMTNR1B
SCHEMBL11842947 0.74 CNR2 (0.47) MTNR1AMTNR1BALOX15TLR8
SCHEMBL496357 0.73 CA12 (0.44) ALOX15PTPN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1315709-B1 AMINOALKYLBENZOYL-BENZOFURAN OR BENZOTHIOPHENE DERIVATIVES, METHOD FOR PREPARING SAME AND COMPOSITIONS CONTAINING SAME SANOFI AVENTIS (FR) 2010-05-26 EP disclosed
EP-1315709-A1 AMINOALKYLBENZOYL-BENZOFURAN OR BENZOTHIOPHENE DERIVATIVES, METHOD FOR PREPARING SAME AND COMPOSITIONS CONTAINING SAME Sanofi-Aventis (FR) 2003-06-04 EP disclosed
EP-1315710-A1 AMINOALKOXYBENZOYL-BENZOFURAN OR BENZOTHIOPHENE DERIVATIVES, METHOD FOR PREPARING SAME AND COMPOSITIONS CONTAINING SAME SANOFI-SYNTHELABO (FR) 2003-06-04 EP disclosed
WO-2002016340-A1 AMINOALKOXYBENZOYL-BENZOFURAN OR BENZOTHIOPHENE DERIVATIVES, METHOD FOR PREPARING SAME AND COMPOSITIONS CONTAINING SAME SANOFI-SYNTHELABO (FR) 2002-02-28 WO disclosed
WO-2002016339-A1 AMINOALKYLBENZOYL-BENZOFURAN OR BENZOTHIOPHENE DERIVATIVES, METHOD FOR PREPARING SAME AND COMPOSITIONS CONTAINING SAME SANOFI-SYNTHELABO (FR) 2002-02-28 WO disclosed