SCHEMBL630807

SCHEMBL630807

CCCCCCc1c(C(=O)O)cc(NCC)c(O)c1C(=O)c1ccccc1

nearest known ligand 0.45

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PLK1 P53350 12/20 0.45
PLK3 Q9H4B4 5/20 0.43
KAT8 Q9H7Z6 2/20 0.41
PPARA Q07869 1/20 0.41
STAT3 P40763 1/20 0.40
BID P55957 2/20 0.39
BCL2L1 Q07817 2/20 0.39
MCL1 Q07820 2/20 0.39
BAK1 Q16611 2/20 0.39

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
SCHEMBL39503 0.82 KAT8 (0.44) PLK1PLK3KAT8PPARASTAT3
SCHEMBL288470 0.80 STAT3 (0.42) PLK1PLK3KAT8PPARASTAT3
SCHEMBL29510566 0.80 STAT3 (0.42) PLK1PLK3KAT8PPARASTAT3
Benzoic Acid SCHEMBL30622599 0.78 STAT3 (0.41) KAT8PPARASTAT3BIDBCL2L1
Dibenzoylmethane SCHEMBL30439938 0.78 STAT3 (0.39) PLK1PLK3KAT8PPARASTAT3
SCHEMBL27818384 0.77 KAT8 (0.51) PLK1PLK3KAT8PPARASTAT3
Diethylamine SCHEMBL2857792 0.77 KAT8 (0.46) PLK1PLK3KAT8PPARASTAT3
SCHEMBL630806 0.74 PLK1 (0.49) PLK1PLK3KAT8PPARABID
SCHEMBL28486795 0.73 TSHR (0.42) KAT8PPARABIDBCL2L1MCL1
SCHEMBL27756644 0.72 AKR1C3 (0.50) PLK1PLK3KAT8PPARABID

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2418944-A2 METHOD FOR COMBATING HARMFUL FUNGI BASF SE (DE) 2012-02-22 EP claimed
WO-2010115720-A2 METHOD FOR COMBATING HARMFUL FUNGI BASF SE (DE) 2010-10-14 WO claimed