SCHEMBL12865201

SCHEMBL12865201

COCC(COC)OCC1CCCCO1

nearest known ligand 0.38

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
LMNA P02545 1/20 0.36
POLB P06746 1/20 0.36
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
ALDH1A1 P00352 1/20 0.34
ACACB O00763 1/20 0.32
PDK1 Q15118 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
SCHEMBL12595149 0.82 LMNA (0.38) MEN1KMT2ALMNAPOLBNPC1
SCHEMBL12595150 0.82 LMNA (0.41) MEN1KMT2ALMNAPOLBNPC1
SCHEMBL23975266 0.79 POLB (0.36) MEN1KMT2ALMNAPOLBALDH1A1
SCHEMBL1145497 0.79
SCHEMBL18413373 0.79
SCHEMBL18513575 0.79
SCHEMBL12448236 0.78 MEN1 (0.40) MEN1KMT2ALMNAPOLBALDH1A1
SCHEMBL7477442 0.77 PDK1 (0.44) MEN1KMT2ALMNAPOLBNPC1
SCHEMBL7477449 0.77 PDK1 (0.44) MEN1KMT2ALMNAPOLBNPC1
SCHEMBL997953 0.77 TSHR (0.41) MEN1KMT2ASMN1; SMN2ALDH1A1

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7888536-B2 Selective and specific preparation of discrete PEG compounds QUANTA BIODESIGN, LTD. (US) 2011-02-15 US disclosed