SCHEMBL28046889

SCHEMBL28046889

CCCC(O)C=CCCO.[KH]

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SPHK2 Q9NRA0 4/20 0.36
SPHK1 Q9NYA1 4/20 0.36
CETP P11597 3/20 0.36
MAPT P10636 4/20 0.34
TRPA1 O75762 1/20 0.34
DDAH1 O94760 1/20 0.34
GAPDH P04406 1/20 0.34
MEN1 O00255 3/20 0.34
KMT2A Q03164 3/20 0.34
GMNN O75496 2/20 0.34
LMNA P02545 2/20 0.34
GLA P06280 2/20 0.34
POLB P06746 2/20 0.34
THRB P10828 2/20 0.34
MAPK1 P28482 2/20 0.34
CXCR5 P32302 2/20 0.34
CCR6 P51684 2/20 0.34
BLM P54132 2/20 0.34
UBE2N P61088 2/20 0.34
CYP2D6 P10635 2/20 0.34

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
SCHEMBL5868453 0.98 SPHK2 (0.37) SPHK2SPHK1CETPMAPTTRPA1
SCHEMBL5868456 0.98 SPHK2 (0.37) SPHK2SPHK1CETPMAPTTRPA1
SCHEMBL7118583 0.85 SPHK2 (0.42) SPHK2SPHK1CETPMAPTMEN1
SCHEMBL7118580 0.85 SPHK2 (0.42) SPHK2SPHK1CETPMAPTMEN1
SCHEMBL18669173 0.84 TAS1R3 (0.39) SPHK2SPHK1CETPMAPTTRPA1
SCHEMBL16689753 0.84 TAS1R3 (0.39) SPHK2SPHK1CETPMAPTTRPA1
SCHEMBL19628508 0.84 TAS1R3 (0.39) SPHK2SPHK1CETPMAPTTRPA1
SCHEMBL28657762 0.81 HDAC2 (0.33) THRB
SCHEMBL14334738 0.80 SPHK2 (0.37) SPHK2SPHK1CETPMAPTTRPA1
SCHEMBL8185806 0.80 MEN1 (0.46) SPHK2SPHK1CETPMAPTTRPA1

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
CN-105085565-B A kind of preparation method of hydroxypropyl (fourth) base disiloxane 山东大学 2018-05-08 CN disclosed
CN-105085565-A Preparation method for hydroxypropyl (butyl) disiloxane UNIV SHANDONG 2015-11-25 CN disclosed