SCHEMBL8083201

SCHEMBL8083201

CCCC(Oc1ccccc1Br)C(=O)N(C)OC

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 3/20 0.40
PPARG P37231 2/20 0.40
HTR1A P08908 1/20 0.39
ADRA2A P08913 1/20 0.39
ADRA2B P18089 1/20 0.39
ADRA2C P18825 1/20 0.39
MEN1 O00255 5/20 0.36
KMT2A Q03164 5/20 0.36
HTR7 P34969 1/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
LMNA P02545 2/20 0.36
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
GAA P10253 1/20 0.35
ATM Q13315 1/20 0.35
FAAH O00519 1/20 0.35
LY96 Q9Y6Y9 1/20 0.35
TSHR P16473 2/20 0.34
HTT P42858 2/20 0.34
ALDH1A1 P00352 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
SCHEMBL8081953 0.80 PPARA (0.42) PPARAPPARGHTR1AADRA2AADRA2B
SCHEMBL8082709 0.80 PPARG (0.56) PPARAPPARGHTR1AADRA2AADRA2B
SCHEMBL8074435 0.79 PPARA (0.41) PPARAPPARGHTR1AADRA2AADRA2B
SCHEMBL8086173 0.79 PPARA (0.41) PPARAPPARGHTR1AADRA2AADRA2B
Hydrochloric Acid SCHEMBL8074440 0.79 PPARG (0.55) PPARAPPARGHTR1AADRA2AADRA2B
SCHEMBL8074376 0.78 POLB (0.43) PPARAPPARGHTR1AADRA2AADRA2B
SCHEMBL1245341 0.71 PPARA (0.49) PPARAPPARGKMT2ASMN1; SMN2LMNA
SCHEMBL8527208 0.71 HTR1A (0.42) PPARAPPARGHTR1AADRA2AADRA2B
SCHEMBL8935797 0.71 PPARA (0.49) PPARAPPARGKMT2ASMN1; SMN2LMNA
SCHEMBL26127073 0.71 RECQL (0.40) PPARAMEN1KMT2ASMN1; SMN2LMNA

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