SCHEMBL8639284

SCHEMBL8639284

Cc1cccc(S(=O)(=O)OCCCc2ccc(OC(=O)CC3CCCC3)cc2)c1

nearest known ligand 0.43

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
F2 P00734 2/20 0.41
FKBP1A P62942 6/20 0.40
CA2 P00918 1/20 0.39
HPGD P15428 2/20 0.38
PPARD Q03181 1/20 0.36
EPHX2 P34913 1/20 0.36
NPC1 O15118 1/20 0.36

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
SCHEMBL8637021 0.78 HPGD (0.39) CA2HPGDEPHX2
SCHEMBL9010367 0.77 FKBP1A (0.40) F2FKBP1AEPHX2
SCHEMBL8636310 0.74 HPGD (0.49) F2CA2HPGDEPHX2
SCHEMBL28194907 0.73 ALDH1A1 (0.53) F2FKBP1ACA2HPGDNPC1
SCHEMBL8634918 0.71 HPGD (0.51) F2CA2HPGDEPHX2
SCHEMBL8396001 0.71 FBP1 (0.48) F2CA2
SCHEMBL28841579 0.69 HPGD (0.53) CA2HPGDEPHX2NPC1
SCHEMBL4682506 0.69 KMT2A (0.44) F2
SCHEMBL4681369 0.69 KMT2A (0.46) F2
SCHEMBL9053748 0.68 FBP1 (0.45) CA2

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
US-5776964-A HYPOTENSIVE AGENTS; ANTICHOLESTEROL AGENTS; CARDIOVASCULAR DISORDERS BAYER AKTIENGESELLSCHAFT (DE) 1998-07-07 US disclosed