SCHEMBL27335920

SCHEMBL27335920

CCCC(=O)c1cnc2c(OCCCS(C)(=O)=O)cccc2c1Nc1ccccc1CN

nearest known ligand 0.65

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ ATP4A P20648 1/20 0.57
▸ ATP4B P51164 1/20 0.57

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
SCHEMBL27525651 0.94 — —
SCHEMBL8187271 0.90 ATP4A (0.61) ATP4AATP4B
SCHEMBL8190133 0.89 ATP4A (0.73) ATP4AATP4B
SCHEMBL8188493 0.89 ATP4A (0.68) ATP4AATP4B
SCHEMBL8190053 0.88 ATP4A (0.59) ATP4AATP4B
SCHEMBL27339268 0.86 ATP4A (0.56) ATP4AATP4B
SCHEMBL8178650 0.84 ATP4A (0.69) ATP4AATP4B
SCHEMBL8192274 0.84 ATP4A (0.75) ATP4AATP4B
SCHEMBL8192819 0.83 ATP4A (0.60) ATP4AATP4B
SCHEMBL8193239 0.83 — —

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
CN-1045955-C New active compounds ASTRA AB (SE) 1999-10-27 — — CN disclosed
CN-1125438-A Novel active compounds ASTRA AB (SE) 1996-06-26 — — CN disclosed
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