SCHEMBL7688181

SCHEMBL7688181

CCCCCCNS(=O)(=O)CCC

nearest known ligand 0.61

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
RELA Q04206 4/20 0.61
PPARA Q07869 4/20 0.59
CA2 P00918 5/20 0.55
CA1 P00915 4/20 0.55
EPHX1 P07099 2/20 0.53
CA12 O43570 2/20 0.50
CA7 P43166 2/20 0.50
CA14 Q9ULX7 2/20 0.50
CA9 Q16790 1/20 0.46
FAAH O00519 1/20 0.43

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
SCHEMBL28469962 1.00 RELA (0.61) RELAPPARACA2CA1EPHX1
SCHEMBL11754427 0.98 RELA (0.59) RELAPPARACA2CA1EPHX1
SCHEMBL1753871 0.98 RELA (0.58) RELAPPARACA2CA1EPHX1
SCHEMBL7109328 0.95 RELA (0.55) RELAPPARACA2CA1EPHX1
SCHEMBL7039396 0.95 RELA (0.55) RELAPPARACA2CA1EPHX1
SCHEMBL7042054 0.95 RELA (0.55) RELAPPARACA2CA1EPHX1
SCHEMBL7685651 0.91 RELA (0.71) RELAPPARACA2CA1EPHX1
SCHEMBL7694320 0.91 RELA (0.71) RELAPPARACA2CA1EPHX1
SCHEMBL8468160 0.91 RELA (0.71) RELAPPARACA2CA1EPHX1
SCHEMBL9609767 0.91 RELA (0.71) RELAPPARACA2CA1EPHX1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2002000622-A2 AMINOALCOHOL DERIVATIVES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2002-01-03 WO disclosed
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