SCHEMBL1704926

SCHEMBL1704926

C=CCC(O)(CCCCCCCCCCCC)C(O)CO

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 4/20 0.36
MAPT P10636 4/20 0.36
LMNA P02545 4/20 0.36
SPHK1 Q9NYA1 3/20 0.36
GMNN O75496 3/20 0.36
POLB P06746 3/20 0.36
BLM P54132 3/20 0.36
CETP P11597 3/20 0.36
UBE2N P61088 3/20 0.36
THPO P40225 2/20 0.36
TP53 P04637 2/20 0.36
CYP1A2 P05177 2/20 0.36
MTOR P42345 1/20 0.36
KDM4E B2RXH2 1/20 0.36
CYP3A4 P08684 1/20 0.36
HTT P42858 1/20 0.36
TSHR P16473 1/20 0.35
MEN1 O00255 3/20 0.35
KMT2A Q03164 3/20 0.35
GLA P06280 2/20 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
SCHEMBL1705366 1.00 CYP2D6 (0.36) CYP2D6MAPTLMNASPHK1GMNN
SCHEMBL10809087 0.98 CYP2D6 (0.33) CYP2D6MAPTLMNASPHK1GMNN
SCHEMBL2226505 0.84 LMNA (0.41) CYP2D6MAPTLMNASPHK1GMNN
SCHEMBL139952 0.84 LMNA (0.41) CYP2D6MAPTLMNASPHK1GMNN
SCHEMBL5820256 0.84 LMNA (0.41) CYP2D6MAPTLMNASPHK1GMNN
SCHEMBL18863212 0.84 LMNA (0.41) CYP2D6MAPTLMNASPHK1GMNN
SCHEMBL142854 0.84 LMNA (0.41) CYP2D6MAPTLMNASPHK1GMNN
SCHEMBL136611 0.84 LMNA (0.41) CYP2D6MAPTLMNASPHK1GMNN
SCHEMBL1890334 0.84 LMNA (0.41) CYP2D6MAPTLMNASPHK1GMNN
SCHEMBL5963212 0.84 LMNA (0.41) CYP2D6MAPTLMNASPHK1GMNN

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-2440195-B1 USE OF ALKYLGLYCEROLS FOR PREPARING DRUGS UNIV RENNES (FR) 2019-11-06 EP disclosed
EP-2440195-A1 USE OF ALKYLGLYCEROLS FOR PREPARING DRUGS Universite De Rennes I (FR) 2012-04-18 EP disclosed
WO-2010142925-A1 USE OF ALKYLGLYCEROLS FOR PREPARING DRUGS UNIVERSITE DE RENNES 1 (FR) 2010-12-16 WO disclosed