SCHEMBL9825825

SCHEMBL9825825

CCCCCCCCCCCC(CCO)OC1CCCCO1

nearest known ligand 0.36

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
THRB P10828 1/20 0.34
HTT P42858 1/20 0.34
MAPT P10636 1/20 0.34
ALDH1A1 P00352 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
EPHX1 P07099 1/20 0.33
SPHK2 Q9NRA0 1/20 0.33
SPHK1 Q9NYA1 1/20 0.33
LMNA P02545 1/20 0.33

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
SCHEMBL11742666 0.94 PTPN1 (0.31) MEN1KMT2ATHRBHTTMAPT
SCHEMBL11744557 0.94 PTPN1 (0.31) MEN1KMT2ATHRBHTTMAPT
SCHEMBL9344144 0.90
SCHEMBL25612545 0.88 ALDH1A1 (0.36) MEN1KMT2AALDH1A1TDP1EPHX1
SCHEMBL4633450 0.88 MEN1 (0.32) MEN1KMT2A
SCHEMBL4408566 0.88 MEN1 (0.32) MEN1KMT2A
SCHEMBL31623378 0.87 ALDH1A1 (0.33) ALDH1A1TDP1EPHX1
SCHEMBL31623366 0.87 ALDH1A1 (0.33) ALDH1A1TDP1EPHX1
SCHEMBL31623372 0.87 ALDH1A1 (0.33) ALDH1A1TDP1EPHX1
SCHEMBL11373443 0.87 ALDH1A1 (0.33) MEN1KMT2AMAPTALDH1A1TDP1

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-0185359-B1 OXETANONE F. HOFFMANN-LA ROCHE AG (CH) 1991-12-04 EP disclosed
EP-0185359-A2 Oxetanone F. HOFFMANN-LA ROCHE AG (CH) 1986-06-25 EP disclosed