SCHEMBL8074376

SCHEMBL8074376

CCCC(Oc1ccccc1Br)C(=O)OCC

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.43
TDP1 Q9NUW8 2/20 0.43
PIN1 Q13526 1/20 0.42
PPARA Q07869 3/20 0.40
PPARG P37231 2/20 0.40
MMP8 P22894 2/20 0.39
MEN1 O00255 3/20 0.38
KMT2A Q03164 3/20 0.38
NPC1 O15118 2/20 0.38
TSHR P16473 2/20 0.38
LMNA P02545 1/20 0.37
KDM4E B2RXH2 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
EPHX2 P34913 1/20 0.36
GAA P10253 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
HTR1A P08908 1/20 0.36
ADRA2A P08913 1/20 0.36
ADRA2B P18089 1/20 0.36
ADRA2C P18825 1/20 0.36

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
SCHEMBL8074400 0.88 PIN1 (0.44) TDP1PIN1PPARAMMP8MEN1
SCHEMBL8082709 0.85 PPARG (0.56) PPARAPPARGMEN1KMT2ANPC1
SCHEMBL8081953 0.85 PPARA (0.42) PPARAPPARGMEN1KMT2ANPC1
SCHEMBL8074435 0.84 PPARA (0.41) PPARAPPARGMEN1KMT2ANPC1
SCHEMBL8086173 0.84 PPARA (0.41) PPARAPPARGMEN1KMT2ANPC1
Hydrochloric Acid SCHEMBL8074440 0.84 PPARG (0.55) PPARAPPARGMEN1KMT2ATSHR
SCHEMBL27538708 0.82 PPARG (0.51) POLBTDP1PIN1PPARAPPARG
SCHEMBL12635149 0.80 L3MBTL1 (0.50) TDP1PIN1MMP8MEN1KMT2A
SCHEMBL27504808 0.78 PPARG (0.55) POLBTDP1PIN1PPARAPPARG
SCHEMBL8083201 0.78 PPARA (0.40) PPARAPPARGMEN1KMT2ANPC1

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