SCHEMBL4422473

SCHEMBL4422473

CCc1ccc2c(=O)c3cccc(CC(=O)O)c3oc2c1CC.[Na]

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
STING1 Q86WV6 2/20 0.65
GLA P06280 1/20 0.65
KDM4E B2RXH2 2/20 0.46
LTB4R Q15722 2/20 0.41
TDP1 Q9NUW8 1/20 0.40
ABCB1 P08183 1/20 0.38
TTR P02766 2/20 0.38
ATP1A1 P05023 1/20 0.37
ATP1B1 P05026 1/20 0.37
ATP1A3 P13637 1/20 0.37
ATP1B2 P14415 1/20 0.37
ATP1A2 P50993 1/20 0.37
ATP1B3 P54709 1/20 0.37
FXYD2 P54710 1/20 0.37
ATP1A4 Q13733 1/20 0.37
LCK P06239 2/20 0.36
FYN P06241 1/20 0.36
AKR1B1 P15121 1/20 0.36
GRB2 P62993 1/20 0.36
LTB4R2 Q9NPC1 1/20 0.36

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
SCHEMBL4563524 0.99 STING1 (0.67) STING1GLAKDM4ELTB4RTDP1
SCHEMBL4422470 0.97 STING1 (0.65) STING1GLAKDM4ELTB4RTDP1
SCHEMBL4422465 0.86 GLA (0.51) STING1GLAKDM4ELTB4RTTR
SCHEMBL20763371 0.84 STING1 (0.64) STING1GLAKDM4ELTB4RTDP1
SCHEMBL20762975 0.82 STING1 (0.62) STING1GLAKDM4ELTB4RTDP1
SCHEMBL20762977 0.82 STING1 (0.62) STING1GLAKDM4ELTB4RTDP1
SCHEMBL20762921 0.81 STING1 (0.75) STING1GLAKDM4ELTB4RTDP1
Vadimezan SCHEMBL4282930 0.81 STING1 (0.97) STING1GLAKDM4ETDP1
SCHEMBL20762991 0.81 STING1 (0.79) STING1GLAKDM4ETDP1
SCHEMBL20763359 0.80 STING1 (0.73) STING1GLAKDM4ELTB4RTDP1

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
WO-2009156459-A1 ORGANIC COMPOUNDS NOVARTIS AG (CH) 2009-12-30 WO claimed
WO-2009156459-A1 ORGANIC COMPOUNDS NOVARTIS AG (CH) 2009-12-30 WO disclosed