SCHEMBL8780368

SCHEMBL8780368

CCCCCCCc1cc(Br)ccc1-c1ccccc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LIPG Q9Y5X9 1/20 0.42
GPR3 P46089 1/20 0.42
BID P55957 3/20 0.40
MCL1 Q07820 3/20 0.40
BCL2L1 Q07817 2/20 0.40
BAK1 Q16611 2/20 0.40
KAT8 Q9H7Z6 2/20 0.40
PPARA Q07869 2/20 0.40
PPARG P37231 1/20 0.40
EP300 Q09472 1/20 0.40
KAT2A Q92830 1/20 0.40
KAT2B Q92831 1/20 0.40
KAT5 Q92993 1/20 0.40
SAE1 Q9UBE0 1/20 0.40
SOAT1 P35610 3/20 0.40
NR1H2 P55055 1/20 0.39
NR1H3 Q13133 1/20 0.39
MEN1 O00255 1/20 0.38
TP53 P04637 1/20 0.38
CYP3A4 P08684 1/20 0.38

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
SCHEMBL8780418 0.98 LIPG (0.40) LIPGGPR3BIDMCL1BCL2L1
SCHEMBL12798312 0.90 TYR (0.40) LIPGGPR3BIDMCL1BCL2L1
SCHEMBL5180165 0.90 TYR (0.40) LIPGGPR3BIDMCL1BCL2L1
SCHEMBL6517710 0.87 PTGDR2 (0.40) PPARAPPARGMAPT
SCHEMBL19846950 0.87 TYR (0.44) LIPGGPR3NR1H2NR1H3MEN1
SCHEMBL5180184 0.87 TYR (0.44) LIPGGPR3NR1H2NR1H3MEN1
SCHEMBL2947274 0.87 TYR (0.44) LIPGGPR3NR1H2NR1H3MEN1
SCHEMBL10429729 0.84 LIPG (0.45) LIPGGPR3BIDMCL1BCL2L1
SCHEMBL12798379 0.83 SMN1; SMN2 (0.44) MEN1TP53MAPTTYRHTT
SCHEMBL8033831 0.82 PPARA (0.43) LIPGGPR3BIDMCL1BCL2L1

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
EP-0788511-A1 CYCLIC HEXAPEPTIDES HAVING ANTIBIOTIC ACTIVITY FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1997-08-13 EP disclosed