SCHEMBL7769582

SCHEMBL7769582

CCCCCCCCCCC[C@H](CO)NCCC(C)C

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.45
KDM4E B2RXH2 2/20 0.42
CNR1 P21554 1/20 0.42
ADRA1A P35348 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
ABCC3 O15438 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
CYP2D6 P10635 2/20 0.39
SPHK1 Q9NYA1 2/20 0.39
GMNN O75496 1/20 0.39
POLB P06746 1/20 0.39
THPO P40225 1/20 0.39
MTOR P42345 1/20 0.39
BLM P54132 1/20 0.39
TP53 P04637 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
MAPT P10636 1/20 0.39
CETP P11597 1/20 0.39
HTT P42858 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
SCHEMBL26492558 0.88 EPHX1 (0.41) LMNACNR1SPHK1PLA2G10EPHX1
SCHEMBL16390557 0.86 LMNA (0.50) LMNAKDM4ECNR1ADRA1ATDP1
SCHEMBL2042310 0.85 LMNA (0.48) LMNAKDM4ECNR1ADRA1ATDP1
SCHEMBL16389830 0.85 LMNA (0.48) LMNAKDM4ECNR1ADRA1ATDP1
SCHEMBL1290325 0.85 LMNA (0.48) LMNAKDM4ECNR1ADRA1ATDP1
SCHEMBL544925 0.85 LMNA (0.48) LMNAKDM4ECNR1ADRA1ATDP1
SCHEMBL16390516 0.85 LMNA (0.48) LMNAKDM4ECNR1ADRA1ATDP1
SCHEMBL3826478 0.85 LMNA (0.48) LMNAKDM4ECNR1ADRA1ATDP1
SCHEMBL2037547 0.85 LMNA (0.48) LMNAKDM4ECNR1ADRA1ATDP1
SCHEMBL5865607 0.85 LMNA (0.48) LMNAKDM4ECNR1ADRA1ATDP1

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
EP-0721446-B1 CHIRAL SURFACTANTS AND METHODS FOR THEIR USE IN CHIRAL SEPARATIONS WATERS CORP (US) 2001-07-18 EP disclosed