SCHEMBL8780418

SCHEMBL8780418

CCCCCc1cc(Br)ccc1-c1ccccc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LIPG Q9Y5X9 1/20 0.40
GPR3 P46089 1/20 0.40
PPARA Q07869 2/20 0.39
GPR84 Q9NQS5 1/20 0.39
CNR1 P21554 1/20 0.38
CNR2 P34972 1/20 0.38
BID P55957 3/20 0.38
MCL1 Q07820 3/20 0.38
BCL2L1 Q07817 2/20 0.38
BAK1 Q16611 2/20 0.38
KAT8 Q9H7Z6 2/20 0.38
TLR8 Q9NR97 2/20 0.38
HSD11B1 P28845 1/20 0.38
PPARG P37231 1/20 0.38
EP300 Q09472 1/20 0.38
KAT2A Q92830 1/20 0.38
KAT2B Q92831 1/20 0.38
KAT5 Q92993 1/20 0.38
SAE1 Q9UBE0 1/20 0.38
SOAT1 P35610 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
SCHEMBL8780368 0.98 LIPG (0.42) LIPGGPR3PPARABIDMCL1
SCHEMBL12798312 0.89 TYR (0.40) LIPGGPR3PPARABIDMCL1
SCHEMBL5180165 0.89 TYR (0.40) LIPGGPR3PPARABIDMCL1
SCHEMBL6517710 0.88 PTGDR2 (0.40) PPARAPPARGADORA3
SCHEMBL12798379 0.85 SMN1; SMN2 (0.44) ADORA3
SCHEMBL2947274 0.84 TYR (0.44) LIPGGPR3ADORA3
SCHEMBL5180184 0.84 TYR (0.44) LIPGGPR3ADORA3
SCHEMBL19846950 0.84 TYR (0.44) LIPGGPR3ADORA3
SCHEMBL8033831 0.83 PPARA (0.43) LIPGGPR3PPARAGPR84CNR1
SCHEMBL10429729 0.82 LIPG (0.45) LIPGGPR3PPARABIDMCL1

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