SCHEMBL1122050

SCHEMBL1122050

CCCCCCCCCCCCC(O)C(C)OCC(C)O

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SPHK1 Q9NYA1 3/20 0.52
MAPT P10636 2/20 0.44
CYP2D6 P10635 2/20 0.44
GMNN O75496 1/20 0.44
LMNA P02545 1/20 0.44
POLB P06746 1/20 0.44
THPO P40225 1/20 0.44
MTOR P42345 1/20 0.44
BLM P54132 1/20 0.44
KDM4E B2RXH2 1/20 0.44
TP53 P04637 1/20 0.44
CYP1A2 P05177 1/20 0.44
CYP3A4 P08684 1/20 0.44
CETP P11597 1/20 0.44
HTT P42858 1/20 0.44
UBE2N P61088 1/20 0.44
TDP1 Q9NUW8 1/20 0.40
ABCB1 P08183 1/20 0.40
TRPV1 Q8NER1 1/20 0.39
TRPA1 O75762 1/20 0.39

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
SCHEMBL622449 0.92 TDP1 (0.42) SPHK1MAPTCYP2D6GMNNLMNA
SCHEMBL9493036 0.87 SPHK1 (0.39) SPHK1MAPTCYP2D6GMNNLMNA
SCHEMBL620027 0.85 TDP1 (0.50) SPHK1MAPTCYP2D6GMNNLMNA
SCHEMBL15369202 0.84 USP2 (0.51) SPHK1MAPTCYP2D6GMNNLMNA
SCHEMBL6437780 0.84 TDP1 (0.45) SPHK1MAPTLMNATDP1
SCHEMBL8718578 0.82 TRPV1 (0.35) SPHK1TDP1TRPV1TRPA1
SCHEMBL429521 0.80 MAPT (0.41) SPHK1MAPTCYP2D6GMNNLMNA
SCHEMBL15970081 0.80 MAPT (0.41) SPHK1MAPTCYP2D6GMNNLMNA
SCHEMBL25004972 0.80 MAPT (0.47) SPHK1MAPTCYP2D6GMNNLMNA
SCHEMBL4142740 0.80 TDP1 (0.34) TDP1TRPV1TRPA1

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-1836251-B1 STABILIZER COMPOSITION CONTAINING PHOSPHITE ESTERS BAERLOCHER ITALIA S P A (IT) 2011-02-09 EP disclosed
EP-1836251-A1 STABILIZER COMPOSITION CONTAINING PHOSPHITE ESTERS Baerlocher Italia S.p.A. (IT) 2007-09-26 EP disclosed
WO-2006066947-A1 STABILIZER COMPOSITION CONTAINING PHOSPHITE ESTERS BAERLOCHER ITALIA S.P.A. (IT) 2006-06-29 WO disclosed