SCHEMBL9226969

SCHEMBL9226969

CCCSCCCOc1cccc2c(Nc3ccccc3S(C)(=O)=O)c(C(=O)CC)cnc12

nearest known ligand 0.59

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ ATP4A P20648 1/20 0.50
▸ ATP4B P51164 1/20 0.50

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
SCHEMBL8178018 0.88 ATP4A (0.65) ATP4AATP4B
SCHEMBL9393983 0.87 ATP4A (0.57) ATP4AATP4B
SCHEMBL8194342 0.84 ATP4A (0.66) ATP4AATP4B
SCHEMBL8190069 0.79 ATP4A (0.65) ATP4AATP4B
SCHEMBL8186924 0.78 ATP4A (0.64) ATP4AATP4B
SCHEMBL8194109 0.77 ATP4A (0.65) ATP4AATP4B
SCHEMBL8193239 0.77 — —
SCHEMBL8187555 0.77 MEN1 (0.43) —
SCHEMBL8178063 0.77 ATP4A (0.64) ATP4AATP4B
SCHEMBL27525651 0.76 — —

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
EP-0702672-A1 NEW ACTIVE COMPOUNDS AKTIEBOLAGET ASTRA (SE) 1996-03-27 — — EP disclosed
WO-1994029274-A1 NEW ACTIVE COMPOUNDS ASTRA AKTIEBOLAG (SE) 1994-12-22 — — WO disclosed
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