SCHEMBL630806

SCHEMBL630806

CCCCCCc1c(C(=O)O)cccc1C(=O)c1cccc(NCC)c1O

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PLK1 P53350 8/20 0.49
PLK3 Q9H4B4 4/20 0.45
CYP3A4 P08684 1/20 0.41
CYP2C9 P11712 1/20 0.41
KMT2A Q03164 1/20 0.41
KAT8 Q9H7Z6 4/20 0.40
BID P55957 3/20 0.40
MCL1 Q07820 3/20 0.40
BCL2L1 Q07817 2/20 0.40
BAK1 Q16611 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
TRPA1 O75762 1/20 0.39
TRPM2 O94759 1/20 0.39
PLA2G1B P04054 1/20 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
SCHEMBL39502 0.81 MMP2 (0.53) PLK1PLK3CYP3A4CYP2C9KMT2A
SCHEMBL14836221 0.80 KAT8 (0.53) PLK1PLK3KAT8BIDMCL1
SCHEMBL27944035 0.80 KAT8 (0.53) PLK1PLK3KAT8BIDMCL1
SCHEMBL27924694 0.80 KAT8 (0.53) PLK1PLK3KAT8BIDMCL1
SCHEMBL28103139 0.80 KAT8 (0.53) PLK1PLK3KAT8BIDMCL1
SCHEMBL8757448 0.80 KAT8 (0.53) PLK1PLK3KAT8BIDMCL1
SCHEMBL27944038 0.80 KAT8 (0.53) PLK1PLK3KAT8BIDMCL1
SCHEMBL27924691 0.80 KAT8 (0.53) PLK1PLK3KAT8BIDMCL1
SCHEMBL27944047 0.80 KAT8 (0.53) PLK1PLK3KAT8BIDMCL1
SCHEMBL27600985 0.80 KAT8 (0.52) PLK1KAT8BIDMCL1BCL2L1

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