SCHEMBL9444872

SCHEMBL9444872

CCCCCC(Br)OC(C)OCC

nearest known ligand 0.42

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.42
OPRM1 P35372 1/20 0.41
ZDHHC7 Q9NXF8 1/20 0.35
TP53 P04637 1/20 0.34
LCK P06239 1/20 0.34
PPARD Q03181 1/20 0.34
ZDHHC20 Q5W0Z9 1/20 0.34
ZDHHC2 Q9UIJ5 1/20 0.34
FAAH O00519 4/20 0.34
CA1 P00915 2/20 0.31
SPHK1 Q9NYA1 1/20 0.31
CNR1 P21554 1/20 0.30
CNR2 P34972 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
SCHEMBL9444925 0.81 OPRM1 (0.44) LMNAOPRM1ZDHHC7TP53LCK
SCHEMBL11734905 0.79 OPRM1 (0.42) LMNAOPRM1ZDHHC7TP53LCK
SCHEMBL28885508 0.79 ZDHHC7 (0.44) LMNAOPRM1ZDHHC7LCKPPARD
SCHEMBL9444824 0.79 ZDHHC7 (0.44) LMNAOPRM1ZDHHC7LCKPPARD
SCHEMBL7335498 0.78 LMNA (0.41) LMNAOPRM1ZDHHC7TP53LCK
SCHEMBL29096135 0.78 ZDHHC7 (0.47) LMNAOPRM1ZDHHC7LCKPPARD
SCHEMBL11547263 0.76 OPRM1 (0.52) LMNAOPRM1TP53CA1SPHK1
SCHEMBL6022000 0.76 LMNA (0.42) LMNAOPRM1TP53CA1SPHK1
Hexane SCHEMBL15914691 0.75 LMNA (0.75) LMNAOPRM1TP53
Decane SCHEMBL11569605 0.73 LMNA (0.71) LMNAOPRM1

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
US-5223232-A Solvent extraction of solutions from irradiated nuclear fuel reprocessing plants COMMISSARIAT A L'ENERGIE ATOMIQUE (FR) 1993-06-29 US disclosed