SCHEMBL2594746

SCHEMBL2594746

CCCCCC(O[CH]C(C)O)O[CH]C(C)O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMPD1 P17405 3/20 0.42
SPHK1 Q9NYA1 2/20 0.42
OPRM1 P35372 1/20 0.39
MAPT P10636 2/20 0.38
TRPA1 O75762 1/20 0.38
DDAH1 O94760 1/20 0.38
GAPDH P04406 1/20 0.38
GPR84 Q9NQS5 4/20 0.38
CA1 P00915 2/20 0.38
FFAR1 O14842 1/20 0.38
LMNA P02545 2/20 0.37
TP53 P04637 2/20 0.36
CYP2D6 P10635 2/20 0.35
ADH1B P00325 1/20 0.35
ADH1C P00326 1/20 0.35
ADH1A P07327 1/20 0.35
ADH4 P08319 1/20 0.35
ADH7 P40394 1/20 0.35
GMNN O75496 1/20 0.35
POLB P06746 1/20 0.35

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
SCHEMBL10387976 0.80 SPHK1 (0.41) SMPD1SPHK1OPRM1MAPTGPR84
SCHEMBL9254838 0.76 USP2 (0.39) SPHK1OPRM1MAPTTRPA1DDAH1
SCHEMBL7757009 0.74 USP2 (0.42) SPHK1MAPTGPR84CA1HTT
SCHEMBL9316776 0.74 USP2 (0.42) SPHK1MAPTGPR84CA1HTT
SCHEMBL6709623 0.74 USP2 (0.42) SPHK1MAPTGPR84CA1HTT
SCHEMBL1476470 0.73 SMPD1 (0.41) SMPD1OPRM1MAPTTRPA1DDAH1
SCHEMBL31220927 0.73 SMPD1 (0.45) SMPD1OPRM1MAPTTRPA1DDAH1
SCHEMBL36477 0.73 SMPD1 (0.41) SMPD1OPRM1MAPTTRPA1DDAH1
SCHEMBL17288698 0.73 SMPD1 (0.41) SMPD1OPRM1MAPTTRPA1DDAH1
SCHEMBL12610886 0.73

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3704177-A1 RADIOPAQUE THERMOPLASTIC POLYMER The Texas A&M University System (US) 2020-09-09 EP disclosed
EP-2566924-A2 POST POLYMERIZATION CURE SHAPE MEMORY POLYMERS Lawrence Livermore National Security, LLC (US) 2013-03-13 EP disclosed
WO-2011140246-A2 POST POLYMERIZATION CURE SHAPE MEMORY POLYMERS LAWRENCE LIVERMORE NATIONAL SECURITY, LLC (US) 2011-11-10 WO disclosed