SCHEMBL7682139

SCHEMBL7682139

C=CCN(C)C/C=C/COc1ccc(C(=O)C[C@@H](C=C(C)C)OC(=O)/C=C/C(=O)O[C@H](C=C(C)C)CC(=O)c2ccc(OC/C=C/CN(C)CC=C)cc2)cc1

nearest known ligand 0.55

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
LSS P48449 18/20 0.55
NPC1 O15118 1/20 0.33
POLB P06746 1/20 0.33
MAPT P10636 1/20 0.33
RAB9A P51151 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32

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
SCHEMBL7679269 0.86 LSS (0.41) LSSMEN1KMT2A
SCHEMBL7679251 0.85 LSS (0.60) LSSMEN1KMT2A
SCHEMBL7767798 0.85 LSS (0.60) LSSMEN1KMT2A
SCHEMBL7679262 0.85 LSS (0.60) LSSMEN1KMT2A
SCHEMBL7679255 0.85 LSS (0.60) LSSMEN1KMT2A
Fumaric Acid SCHEMBL7682141 0.83 LSS (0.56) LSSMEN1KMT2A
Fumaric Acid SCHEMBL7682131 0.83 LSS (0.56) LSSMEN1KMT2A
SCHEMBL7677286 0.78 LSS (0.73) LSSPOLBMAPT
SCHEMBL7677292 0.78 LSS (0.73) LSSPOLBMAPT
SCHEMBL3684952 0.77 LSS (0.62) LSSNPC1MAPTMEN1KMT2A

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