SCHEMBL8086173

SCHEMBL8086173

CCCC(Oc1ccccc1Br)C(=O)CC

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 3/20 0.41
PPARG P37231 2/20 0.41
TSHR P16473 2/20 0.40
LMNA P02545 2/20 0.40
MEN1 O00255 4/20 0.37
KMT2A Q03164 4/20 0.37
HTR1A P08908 1/20 0.37
ADRA2A P08913 1/20 0.37
ADRA2B P18089 1/20 0.37
ADRA2C P18825 1/20 0.37
GRM4 Q14833 1/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
GAA P10253 1/20 0.36
ATM Q13315 1/20 0.36
LY96 Q9Y6Y9 1/20 0.35
ALDH1A1 P00352 2/20 0.35
MAPT P10636 1/20 0.35
HPGD P15428 1/20 0.35
HTT P42858 1/20 0.35
HTR7 P34969 1/20 0.34

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
SCHEMBL8083193 0.88 TSHR (0.42) PPARAPPARGTSHRLMNAMEN1
SCHEMBL8081953 0.86 PPARA (0.42) PPARAPPARGTSHRLMNAMEN1
SCHEMBL8082709 0.86 PPARG (0.56) PPARAPPARGTSHRLMNAMEN1
SCHEMBL8074435 0.85 PPARA (0.41) PPARAPPARGTSHRLMNAMEN1
Hydrochloric Acid SCHEMBL8074440 0.85 PPARG (0.55) PPARAPPARGTSHRLMNAMEN1
SCHEMBL8074376 0.84 POLB (0.43) PPARAPPARGTSHRLMNAMEN1
SCHEMBL8083201 0.79 PPARA (0.40) PPARAPPARGTSHRLMNAMEN1
SCHEMBL1245341 0.76 PPARA (0.49) PPARAPPARGTSHRLMNAKMT2A
SCHEMBL8935797 0.76 PPARA (0.49) PPARAPPARGTSHRLMNAKMT2A
SCHEMBL8527208 0.76 HTR1A (0.42) PPARAPPARGTSHRLMNAMEN1

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
US-6063810-A ENANTIOMORPHS SYNTHELABO (FR) 2000-05-16 US disclosed
EP-0888324-A1 2-AMINOETHYL-BENZOFURAN DERIVATIVES, PREPARATION THEREOF AND THERAPEUTICAL USE THEREOF SYNTHELABO (FR) 1999-01-07 EP disclosed
WO-1997032870-A1 2-AMINOETHYL-BENZOFURAN DERIVATIVES, PREPARATION THEREOF AND THERAPEUTICAL USE THEREOF SYNTHELABO (FR) 1997-09-12 WO disclosed