SCHEMBL9550397

SCHEMBL9550397

CCCC(=COC)c1oc2c(CC(=O)O)cccc2c1C

nearest known ligand 0.50

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ STING1 Q86WV6 2/20 0.50
▸ GLA P06280 1/20 0.50
▸ MCL1 Q07820 2/20 0.41
▸ KDM4E B2RXH2 3/20 0.40
▸ L3MBTL1 Q9Y468 3/20 0.36
▸ TDP1 Q9NUW8 2/20 0.36
▸ HPGD P15428 2/20 0.36
▸ MEN1 O00255 1/20 0.36
▸ KMT2A Q03164 1/20 0.36
▸ ALDH1A1 P00352 1/20 0.36
▸ HSD17B10 Q99714 1/20 0.36
▸ PTGDR2 Q9Y5Y4 1/20 0.35
▸ SMN1; SMN2 Q16637 1/20 0.34
▸ ATM Q13315 1/20 0.34

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
SCHEMBL9550389 0.74 GLA (0.48) STING1GLAMCL1KDM4ETDP1
SCHEMBL4459419 0.69 STING1 (0.75) STING1GLAKDM4EL3MBTL1HPGD
SCHEMBL9550449 0.69 GLA (0.56) STING1GLAMCL1KDM4ETDP1
SCHEMBL9550502 0.68 MMP2 (0.50) STING1GLAKDM4EL3MBTL1TDP1
SCHEMBL10470786 0.68 GLA (0.45) STING1GLAKDM4ETDP1
SCHEMBL20763280 0.68 STING1 (0.72) STING1GLAKDM4EMEN1KMT2A
SCHEMBL9381286 0.67 STING1 (0.78) STING1GLAMCL1KDM4ETDP1
Vadimezan SCHEMBL29363732 0.67 STING1 (1.00) STING1GLAMCL1KDM4ETDP1
Vadimezan SCHEMBL111183 0.67 STING1 (1.00) STING1GLAMCL1KDM4ETDP1
Vadimezan SCHEMBL29356696 0.67 STING1 (1.00) STING1GLAMCL1KDM4ETDP1

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
US-5182295-A Miticides, fungicides ROUSSEL UCLAF (FR) 1993-01-26 — — US claimed
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