SCHEMBL21477

SCHEMBL21477

OCCCC(O)C(CO)CCCO

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.42
THRB P10828 1/20 0.35
CYP2D6 P10635 2/20 0.32
SPHK1 Q9NYA1 1/20 0.32
GMNN O75496 1/20 0.32
POLB P06746 1/20 0.32
THPO P40225 1/20 0.32
MTOR P42345 1/20 0.32
BLM P54132 1/20 0.32
KDM4E B2RXH2 1/20 0.32
TP53 P04637 1/20 0.32
CYP1A2 P05177 1/20 0.32
CYP3A4 P08684 1/20 0.32
MAPT P10636 1/20 0.32
CETP P11597 1/20 0.32
HTT P42858 1/20 0.32
UBE2N P61088 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
PTPN1 P18031 1/20 0.32
TDP1 Q9NUW8 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
SCHEMBL1043717 0.92 LMNA (0.41) LMNATHRBCYP2D6SPHK1GMNN
SCHEMBL2300682 0.92 LMNA (0.41) LMNATHRBCYP2D6SPHK1GMNN
SCHEMBL26921972 0.92 LMNA (0.44) LMNATHRBCYP2D6SPHK1GMNN
SCHEMBL7645827 0.90 LMNA (0.39) LMNATHRBCYP2D6SPHK1GMNN
SCHEMBL946737 0.90 LMNA (0.39) LMNATHRBCYP2D6SPHK1GMNN
SCHEMBL3708212 0.83 PTPN1 (0.35) LMNACYP2D6SPHK1GMNNPOLB
SCHEMBL996007 0.83 THRB (0.35) LMNATHRBPTPN1
SCHEMBL28405833 0.82 LMNA (0.48) LMNATHRBCYP2D6SPHK1GMNN
SCHEMBL8097299 0.81 LMNA (0.36) LMNATHRBCYP2D6SPHK1GMNN
SCHEMBL1668395 0.80 THRB (0.43) LMNATHRB

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
EP-2608756-A1 ULTRATHIN FLUID-ABSORBENT CORES BASF SE (DE) 2013-07-03 EP disclosed
WO-2012025445-A1 ULTRATHIN FLUID-ABSORBENT CORES BASF SE (DE) 2012-03-01 WO disclosed