SCHEMBL11909451

SCHEMBL11909451

O=C(OCOC1CCCCO1)C1CC2C=CC1O2

nearest known ligand 0.36

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
TP53 P04637 1/20 0.32
CYP3A4 P08684 1/20 0.32
LMNA P02545 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
SCHEMBL11907544 0.96 LMNA (0.33) MEN1KMT2ATP53CYP3A4LMNA
SCHEMBL11909478 0.83 TP53 (0.31) MEN1KMT2ATP53CYP3A4
SCHEMBL11908965 0.83 MEN1 (0.32) MEN1KMT2A
SCHEMBL11907483 0.83 TP53 (0.33) TP53CYP3A4
SCHEMBL11907608 0.82 TP53 (0.32) TP53CYP3A4
SCHEMBL11907593 0.82 TP53 (0.32) TP53CYP3A4
SCHEMBL11908878 0.80 LMNA (0.32) LMNA
SCHEMBL11908981 0.79 LMNA (0.31) LMNA
SCHEMBL11908068 0.77 POLB (0.39) MEN1KMT2ATP53CYP3A4LMNA
SCHEMBL11907668 0.76

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-8450440-B2 Method for purifying polymer and polymer MITSUI CHEMICALS, INC. (JP) 2013-05-28 US disclosed
US-20120208976-A1 METHOD FOR PURIFYING POLYMER AND POLYMER MITSUI CHEMICALS, INC (JP) 2012-08-16 US disclosed