SCHEMBL8074435

SCHEMBL8074435

CCCC(Oc1ccccc1Br)C(=O)Cl

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 4/20 0.41
PPARG P37231 3/20 0.41
GRM4 Q14833 2/20 0.38
TSHR P16473 2/20 0.38
LMNA P02545 2/20 0.38
MEN1 O00255 3/20 0.37
KMT2A Q03164 3/20 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
SMN1; SMN2 Q16637 2/20 0.36
GAA P10253 1/20 0.36
ATM Q13315 1/20 0.36
ALDH1A1 P00352 1/20 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
NPC1 O15118 2/20 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
SCHEMBL8074404 0.88 PPARA (0.42) PPARAPPARGGRM4TSHRLMNA
SCHEMBL8081953 0.86 PPARA (0.42) PPARAPPARGGRM4TSHRLMNA
SCHEMBL8082709 0.86 PPARG (0.56) PPARAPPARGTSHRLMNAMEN1
Hydrochloric Acid SCHEMBL8074440 0.85 PPARG (0.55) PPARAPPARGTSHRLMNAMEN1
SCHEMBL8086173 0.85 PPARA (0.41) PPARAPPARGGRM4TSHRLMNA
SCHEMBL8074376 0.84 POLB (0.43) PPARAPPARGTSHRLMNAMEN1
SCHEMBL8083201 0.79 PPARA (0.40) PPARAPPARGGRM4TSHRLMNA
SCHEMBL8935797 0.76 PPARA (0.49) PPARAPPARGTSHRLMNAKMT2A
SCHEMBL1245341 0.76 PPARA (0.49) PPARAPPARGTSHRLMNAKMT2A
SCHEMBL8527208 0.76 HTR1A (0.42) PPARAPPARGGRM4TSHRLMNA

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
US-6063810-A ENANTIOMORPHS SYNTHELABO (FR) 2000-05-16 US disclosed