SCHEMBL7685331

SCHEMBL7685331

C=CCN(C)CCCCCCOc1ccc([C@@](C)(OC(=O)/C=C/C(=O)O[C@@](C)(c2ccc(Br)cc2)c2ccc(OCCCCCCN(C)CC=C)cc2F)c2ccc(Br)cc2)c(F)c1

nearest known ligand 0.62

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
LSS P48449 20/20 0.62
MEN1 O00255 1/20 0.62
KMT2A Q03164 1/20 0.62

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
Fumaric Acid SCHEMBL7685337 0.85 LSS (0.69) LSSMEN1KMT2A
Fumaric Acid SCHEMBL7685326 0.85 LSS (0.69) LSSMEN1KMT2A
SCHEMBL7685790 0.85 LSS (0.64) LSSMEN1KMT2A
SCHEMBL7685786 0.85 LSS (0.64) LSSMEN1KMT2A
SCHEMBL3674881 0.77 LSS (1.00) LSSMEN1KMT2A
Bromide SCHEMBL7685880 0.76 LSS (0.98) LSSMEN1KMT2A
Fumaric Acid SCHEMBL29455114 0.76 LSS (1.00) LSSMEN1KMT2A
Fumaric Acid SCHEMBL3189902 0.76 LSS (1.00) LSSMEN1KMT2A
Fumaric Acid SCHEMBL4437311 0.76 LSS (1.00) LSSMEN1KMT2A
SCHEMBL7764141 0.75 LSS (0.67) LSSMEN1KMT2A

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-6441177-B1 Tertiary amines HOFFMANN-LA ROCHE INC. 2002-08-27 US disclosed
US-6034275-A FUGICIDES; ATICHOLESTEROL AGENTS HOFFMANN-LA ROCHE INC. (US) 2000-03-07 US disclosed