SCHEMBL16378347

SCHEMBL16378347

CCCCOC1C(OCCCC)[C@H](O)OC(COC(=O)c2ccccc2)[C@H]1OCCCC

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.47
TNF P01375 1/20 0.46
ALDH1A1 P00352 4/20 0.44
TSHR P16473 6/20 0.43
TDP1 Q9NUW8 3/20 0.43
L3MBTL1 Q9Y468 3/20 0.43
MAPK1 P28482 4/20 0.41
CYP1A2 P05177 2/20 0.41
CYP2C19 P33261 2/20 0.41
ESR1 P03372 1/20 0.41
CYP2D6 P10635 1/20 0.41
NR1H2 P55055 1/20 0.41
RNASEL Q05823 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
CYP3A4 P08684 3/20 0.40
POLB P06746 3/20 0.40
MEN1 O00255 1/20 0.40
USP2 O75604 1/20 0.40
KMT2A Q03164 1/20 0.40
CYP2C9 P11712 1/20 0.40

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
SCHEMBL16770596 1.00 LMNA (0.47) LMNATNFALDH1A1TSHRTDP1
SCHEMBL16383651 0.92 MEN1 (0.47) LMNATNFALDH1A1TSHRTDP1
SCHEMBL17359607 0.88 LMNA (0.45) LMNATNFALDH1A1TSHRTDP1
SCHEMBL18239897 0.86 LMNA (0.47) LMNAALDH1A1TSHRTDP1L3MBTL1
SCHEMBL8271920 0.85 LGALS9 (0.41) LMNATNFALDH1A1TSHRTDP1
SCHEMBL15483270 0.83 PTPN1 (0.56) LMNATNFALDH1A1L3MBTL1MAPK1
SCHEMBL14817669 0.83 PTPN1 (0.56) LMNATNFALDH1A1L3MBTL1MAPK1
SCHEMBL10182633 0.83 PTPN1 (0.56) LMNATNFALDH1A1L3MBTL1MAPK1
SCHEMBL8271923 0.83 MEN1 (0.45) LMNAALDH1A1TSHRTDP1L3MBTL1
SCHEMBL18239780 0.82 LMNA (0.43) LMNAALDH1A1TSHRTDP1L3MBTL1

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
WO-2015002954-A1 SYNTHETIC OLIGOSACCHARIDES FOR P. AERUGINOSA VACCINE SYNGLYCO PHARMACEUTICALS, INC. (US) 2015-01-08 WO disclosed