SCHEMBL13389729

SCHEMBL13389729

COc1ncccc1-c1ccc(C(=O)O)c(OCc2cccc3ccccc23)c1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ FDPS P14324 1/20 0.60
▸ DHODH Q02127 2/20 0.56
▸ MCL1 Q07820 6/20 0.53
▸ PARP15 Q460N3 1/20 0.50
▸ PARP10 Q53GL7 1/20 0.50
▸ MEN1 O00255 1/20 0.44
▸ KMT2A Q03164 1/20 0.44
▸ GAA P10253 1/20 0.42
▸ BAD Q92934 2/20 0.41
▸ KEAP1 Q14145 1/20 0.41
▸ NFE2L2 Q16236 1/20 0.41
▸ ACMSD Q8TDX5 1/20 0.41
▸ EIF4E P06730 1/20 0.41
▸ KDM4E B2RXH2 2/20 0.40
▸ LMNA P02545 1/20 0.40
▸ POLB P06746 1/20 0.40
▸ HSD17B10 Q99714 1/20 0.40
▸ TDP1 Q9NUW8 1/20 0.40
▸ L3MBTL1 Q9Y468 1/20 0.40
▸ ALDH1A1 P00352 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
SCHEMBL12149663 0.87 FDPS (0.65) FDPSDHODHMCL1PARP15PARP10
SCHEMBL12149598 0.86 FDPS (0.60) FDPSDHODHMCL1PARP15PARP10
SCHEMBL1375302 0.83 FDPS (0.66) FDPSMCL1PARP15PARP10MEN1
SCHEMBL12149587 0.82 FDPS (0.70) FDPSDHODHMCL1PARP15PARP10
SCHEMBL12149637 0.81 FDPS (0.63) FDPSMCL1PARP15PARP10MEN1
SCHEMBL1377048 0.81 FDPS (0.66) FDPSMCL1PARP15PARP10MEN1
SCHEMBL1378315 0.81 FDPS (0.78) FDPSMCL1PARP15PARP10MEN1
SCHEMBL12149601 0.81 FDPS (0.68) FDPSMCL1PARP15PARP10MEN1
SCHEMBL12149695 0.81 FDPS (0.68) FDPSMCL1PARP15PARP10MEN1
SCHEMBL27861648 0.80 FDPS (0.62) FDPSMCL1PARP15PARP10MEN1

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-2010043584-A1 SALICYLIC ACID DERIVATIVES BEING FARNESYL PYROPHOSPHATE SYNTHASE ACTIVITY INHIBITORS NOVARTIS AG (CH) 2010-04-22 — — WO disclosed
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