SCHEMBL906616

SCHEMBL906616

CCCCC(O)C(CC)CO.CCCCC(O)C(CC)CO.CCCCC(O)C(CC)CO.CCCCC(O)C(CC)CO.[Ti]

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.71
ALDH1A1 P00352 2/20 0.48
CYP2D6 P10635 2/20 0.45
SPHK1 Q9NYA1 2/20 0.45
GMNN O75496 1/20 0.45
POLB P06746 1/20 0.45
THPO P40225 1/20 0.45
MTOR P42345 1/20 0.45
BLM P54132 1/20 0.45
KDM4E B2RXH2 1/20 0.45
TP53 P04637 1/20 0.45
CYP1A2 P05177 1/20 0.45
CYP3A4 P08684 1/20 0.45
MAPT P10636 1/20 0.45
CETP P11597 1/20 0.45
HTT P42858 1/20 0.45
UBE2N P61088 1/20 0.45
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
CA2 P00918 5/20 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
SCHEMBL27881032 1.00 LMNA (0.71) LMNAALDH1A1CYP2D6SPHK1GMNN
SCHEMBL3627525 0.98 LMNA (0.74) LMNAALDH1A1CYP2D6SPHK1GMNN
SCHEMBL22122578 0.98 LMNA (0.74) LMNAALDH1A1CYP2D6SPHK1GMNN
SCHEMBL6446954 0.91 LMNA (0.65) LMNAALDH1A1CYP2D6SPHK1GMNN
SCHEMBL9722848 0.91 LMNA (0.65) LMNAALDH1A1CYP2D6SPHK1GMNN
SCHEMBL2844492 0.91 LMNA (0.71) LMNAALDH1A1CYP2D6SPHK1GMNN
SCHEMBL12491812 0.89 LMNA (0.68) LMNAALDH1A1CYP2D6SPHK1GMNN
SCHEMBL12490944 0.89 LMNA (0.68) LMNAALDH1A1CYP2D6SPHK1GMNN
SCHEMBL12490846 0.89 LMNA (0.68) LMNAALDH1A1CYP2D6SPHK1GMNN
SCHEMBL12491596 0.89 LMNA (0.68) LMNAALDH1A1CYP2D6SPHK1GMNN

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
US-20110207847-A1 TIRE BRIDGESTONE CORPORATION (JP) 2011-08-25 US disclosed
EP-2277940-A1 PROCESS FOR PRODUCTION OF MODIFIED CONJUGATED DIENE COPOLYMER, MODIFIED CONJUGATED DIENE COPOLYMER PRODUCED BY THE PROCESS, RUBBER COMPOSITION, AND TIRE Bridgestone Corporation (JP) 2011-01-26 EP disclosed