SCHEMBL20208342

SCHEMBL20208342

Cc1cc(C=O)cc(OCC2CC2)c1

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TLR4 O00206 2/20 0.42
TLR2 O60603 2/20 0.42
F2 P00734 7/20 0.40
CTRC Q99895 1/20 0.40
MAOA P21397 3/20 0.39
LMNA P02545 1/20 0.39
SLC6A2 P23975 1/20 0.39
KAT6A Q92794 1/20 0.39
PARP15 Q460N3 4/20 0.38
PARP10 Q53GL7 4/20 0.38
PARP2 Q9UGN5 2/20 0.37
MAOB P27338 2/20 0.37
HPGD P15428 1/20 0.36
PDE4A P27815 1/20 0.35
PDE4D Q08499 1/20 0.35
F10 P00742 1/20 0.35
PRSS2 P07478 1/20 0.35

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
SCHEMBL16727170 0.82 LMNA (0.47) F2CTRCMAOALMNASLC6A2
SCHEMBL16406694 0.82 LMNA (0.45) MAOALMNASLC6A2HPGD
SCHEMBL28414941 0.81 TLR4 (0.42) TLR4TLR2MAOAPARP15PARP10
SCHEMBL14227724 0.81 TLR4 (0.42) TLR4TLR2PARP15PARP10PARP2
SCHEMBL13746027 0.80 TLR4 (0.39) TLR4TLR2PARP15PARP10PARP2
SCHEMBL16247136 0.80 TLR4 (0.50) TLR4TLR2MAOAPARP15PARP10
SCHEMBL12361326 0.78 ALDH1A1 (0.42) MAOALMNAMAOBHPGD
SCHEMBL27910449 0.77 NR1H4 (0.47) TLR4TLR2KAT6APARP15PARP10
SCHEMBL10068819 0.77 ALDH1A1 (0.43) TLR4TLR2F2KAT6APARP15
SCHEMBL2007212 0.77 SRC (0.45) TLR4TLR2PARP15PARP10PARP2

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-2018098208-A1 NITROGEN RING LINKED DEOXYURIDINE TRIPHOSPHATASE INHIBITORS CV6 THERAPEUTICS (NI) LIMITED (GB) 2018-05-31 WO disclosed