SCHEMBL17832919

SCHEMBL17832919

CN(CCCS(=O)(=O)O)CCON

nearest known ligand 0.40

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ LTA4H P09960 2/20 0.40
▸ APP P05067 1/20 0.39
▸ LMNA P02545 1/20 0.32
▸ SLC6A6 P31641 1/20 0.32
▸ CYP2C19 P33261 1/20 0.32
▸ BLM P54132 1/20 0.32
▸ CHRM2 P08172 1/20 0.30

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
SCHEMBL17832914 0.89 LTA4H (0.42) LTA4HAPPLMNASLC6A6CYP2C19
SCHEMBL18251504 0.83 LTA4H (0.41) LTA4HAPP
SCHEMBL18251201 0.79 LTA4H (0.39) LTA4HAPP
SCHEMBL16790489 0.79 LTA4H (0.39) LTA4HAPPLMNA
SCHEMBL17771977 0.79 APP (0.60) LTA4HAPPLMNASLC6A6CYP2C19
SCHEMBL17787477 0.79 APP (0.54) LTA4HAPPLMNASLC6A6CYP2C19
SCHEMBL19704691 0.77 LTA4H (0.38) LTA4H
SCHEMBL31295636 0.77 APP (0.58) LTA4HAPPLMNASLC6A6CYP2C19
SCHEMBL25199783 0.76 APP (0.39) LTA4HAPPLMNASLC6A6CYP2C19
SCHEMBL5335869 0.76 KDM4C (0.40) LTA4HAPPLMNASLC6A6CYP2C19

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-2016094509-A1 BCL XL INHIBITORY COMPOUNDS HAVING LOW CELL PERMEABILITY AND ANTIBODY DRUG CONJUGATES INCLUDING THE SAME ABBVIE INC. (US) 2016-06-16 — — WO disclosed
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