SCHEMBL9835709

SCHEMBL9835709

CC(=O)NC1(OC2CCCCO2)CCCCC1

nearest known ligand 0.38

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.38
MAPT P10636 1/20 0.33
ABCB1 P08183 1/20 0.32
MEN1 O00255 1/20 0.30
KMT2A Q03164 1/20 0.30

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
SCHEMBL28647211 0.71 MEN1 (0.38) HTTMAPTMEN1KMT2A
SCHEMBL5011348 0.71 MEN1 (0.32) MAPTMEN1KMT2A
SCHEMBL1857214 0.71 MAPT (0.35) MAPTABCB1MEN1KMT2A
SCHEMBL21826746 0.71 MAPT (0.35) MAPTABCB1MEN1KMT2A
SCHEMBL28652285 0.70
SCHEMBL29078204 0.70 MAPT (0.34) MAPTABCB1MEN1KMT2A
SCHEMBL1618268 0.69 CCNA2 (0.37) MEN1KMT2A
SCHEMBL7986917 0.69 CCNA2 (0.37) MEN1KMT2A
SCHEMBL30781006 0.69 MEN1 (0.33) ABCB1MEN1KMT2A
SCHEMBL10601999 0.69 MET (0.32) MEN1KMT2A

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
EP-0200377-B1 HYDROXAMATES SQUIBB & SONS INC (US) 1991-10-09 EP disclosed
US-4604407-A Hydroxamates E. R. SQUIBB & SONS, INC. (US) 1986-08-05 US disclosed