SCHEMBL8396373

SCHEMBL8396373

[NH]CC1(S(=O)(=O)c2ccccc2)CCCCCC1

nearest known ligand 0.56

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.56
MCOLN3 Q8TDD5 1/20 0.56
HTR7 P34969 10/20 0.52
PSEN1 P49768 3/20 0.47
PSEN2 P49810 3/20 0.47
APH1B Q8WW43 3/20 0.47
NCSTN Q92542 3/20 0.47
APH1A Q96BI3 3/20 0.47
PSENEN Q9NZ42 3/20 0.47
HTR1A P08908 2/20 0.43
HTR2A P28223 2/20 0.43
RORC P51449 1/20 0.38
ITGB1 P05556 1/20 0.38
ITGA4 P13612 1/20 0.38
KMT2A Q03164 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
HTR6 P50406 1/20 0.35
PSIP1 O75475 1/20 0.35

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
SCHEMBL8392589 1.00 GAA (0.56) GAAMCOLN3HTR7PSEN1PSEN2
SCHEMBL8394064 0.98 GAA (0.58) GAAMCOLN3HTR7PSEN1PSEN2
SCHEMBL8391526 0.95 HTR7 (0.54) GAAMCOLN3HTR7PSEN1PSEN2
SCHEMBL8394591 0.91 GAA (0.52) GAAMCOLN3HTR7PSEN1PSEN2
SCHEMBL3406334 0.80 GAA (0.58) GAAMCOLN3HTR7PSEN1PSEN2
SCHEMBL8393842 0.76 GAA (0.62) GAAMCOLN3HTR7PSEN1PSEN2
SCHEMBL8396704 0.76 GAA (0.62) GAAMCOLN3HTR7PSEN1PSEN2
SCHEMBL3193960 0.75 GAA (0.96) GAAMCOLN3HTR7PSEN1PSEN2
SCHEMBL7541549 0.75 GAA (0.96) GAAMCOLN3HTR7PSEN1PSEN2
SCHEMBL8393598 0.73 GAA (0.64) GAAMCOLN3HTR7PSEN1PSEN2

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
US-5864043-A CARDIOVASCULAR DISORDERS AND ANGIOTENSIN ANTAGONIST KARL THOMAE GMBH (DE) 1999-01-26 US disclosed
US-5541229-A ANGIOITENSIN II ANTAGONIST AS HYPOTENSIVE AGENTS, ANTIISCHEMIC AGENTS AND CARDIOVASCULAR DISORDERS DR. KARL THOMAE GMBH (DE) 1996-07-30 US disclosed