SCHEMBL8577246

SCHEMBL8577246

CC=COc1c(C=O)cccc1OC

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SRC P12931 1/20 0.56
TLR2 O60603 1/20 0.53
ERN1 O75460 1/20 0.53
TLR1 Q15399 1/20 0.53
TLR6 Q9Y2C9 1/20 0.53
CA1 P00915 1/20 0.49
CA2 P00918 1/20 0.49
LMNA P02545 3/20 0.46
ALDH1A1 P00352 3/20 0.46
CYP1A2 P05177 3/20 0.46
CYP2C9 P11712 1/20 0.46
CYP2C19 P33261 1/20 0.46
NPC1 O15118 1/20 0.45
RAB9A P51151 1/20 0.45
NFE2L2 Q16236 5/20 0.44
PRMT1 Q99873 1/20 0.42
KDM4E B2RXH2 2/20 0.40
HPGD P15428 1/20 0.40
GAA P10253 1/20 0.40
KMT2A Q03164 1/20 0.40

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
SCHEMBL11039664 0.84 SRC (0.61) SRCTLR2ERN1TLR1TLR6
SCHEMBL10434914 0.84 SRC (0.65) SRCTLR2ERN1TLR1TLR6
O-Veratraldehyde SCHEMBL28289918 0.82 SRC (0.67) SRCTLR2ERN1TLR1TLR6
O-Veratraldehyde SCHEMBL319070 0.82 SRC (0.67) SRCTLR2ERN1TLR1TLR6
O-Veratraldehyde SCHEMBL29923149 0.82 SRC (0.67) SRCTLR2ERN1TLR1TLR6
SCHEMBL12904379 0.77 SRC (0.61) SRCTLR2ERN1TLR1TLR6
SCHEMBL28023292 0.77 SRC (0.61) SRCTLR2ERN1TLR1TLR6
SCHEMBL8007602 0.77 SRC (0.61) SRCTLR2ERN1TLR1TLR6
SCHEMBL28463282 0.77 ALDH1A1 (0.53) SRCTLR2ERN1TLR1TLR6
O-Veratraldehyde SCHEMBL8706125 0.76 SRC (0.59) SRCTLR2ERN1TLR1TLR6

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
WO-1998009969-A1 NOVEL ARYL-PYRIDAZINES ASTRA PHARMACEUTICALS LTD. (GB) 1998-03-12 WO disclosed