SCHEMBL3243305

SCHEMBL3243305

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

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR1H4 Q96RI1 1/20 0.57
EYA3 Q99504 3/20 0.54
PTPN1 P18031 1/20 0.54
KDM5A P29375 2/20 0.48
KDM4A O75164 1/20 0.48
ING2 Q9H160 1/20 0.48
TTR P02766 1/20 0.47
SLC22A12 Q96S37 1/20 0.46
SIRT3 Q9NTG7 1/20 0.46
ESR1 P03372 1/20 0.45
PGR P06401 1/20 0.45
CHRM2 P08172 1/20 0.45
HTR1A P08908 1/20 0.45
ADRA2A P08913 1/20 0.45
ADORA3 P0DMS8 1/20 0.45
CHRM1 P11229 1/20 0.45
DRD1 P21728 1/20 0.45
TBXA2R P21731 1/20 0.45
SLC6A2 P23975 1/20 0.45
PDE4A P27815 1/20 0.45

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
SCHEMBL3255546 0.89 NR1H4 (0.57) NR1H4EYA3PTPN1KDM5ATTR
SCHEMBL6139493 0.88 PTPN1 (0.51) NR1H4EYA3PTPN1KDM5AKDM4A
SCHEMBL3247956 0.88 NR1H4 (0.56) NR1H4EYA3PTPN1TTRSLC22A12
SCHEMBL3256165 0.88 NR1H4 (0.56) NR1H4EYA3PTPN1TTRESR1
SCHEMBL3249884 0.88 NR1H4 (0.58) NR1H4EYA3PTPN1TTRSLC22A12
Hydrochloric Acid SCHEMBL6139669 0.87 NR1H4 (0.55) NR1H4EYA3PTPN1TTRESR1
SCHEMBL5226741 0.86 EYA3 (0.72) NR1H4EYA3PTPN1TTRSLC22A12
SCHEMBL3243262 0.86 ESR1 (0.56) ESR1PGRCHRM2HTR1AADRA2A
SCHEMBL3252689 0.86 ESR1 (0.56) ESR1PGRCHRM2HTR1AADRA2A
Hydrochloric Acid SCHEMBL6139779 0.85 ABCB11 (0.56) 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 3 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
WO-2002016339-A1 AMINOALKYLBENZOYL-BENZOFURAN OR BENZOTHIOPHENE DERIVATIVES, METHOD FOR PREPARING SAME AND COMPOSITIONS CONTAINING SAME SANOFI-SYNTHELABO (FR) 2002-02-28 WO disclosed