SCHEMBL28517090

SCHEMBL28517090

CCCCC(C)OC(=O)CC(C(=O)OCC)S(=O)(=O)O.[NaH]

nearest known ligand 0.53

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
RECQL P46063 1/20 0.53
FAAH O00519 5/20 0.40
CNR1 P21554 1/20 0.40
CNR2 P34972 1/20 0.40
TP53 P04637 1/20 0.36
EPHX2 P34913 1/20 0.34
MAPT P10636 1/20 0.33
ALDH1A1 P00352 1/20 0.32
CYP3A4 P08684 1/20 0.32
TSHR P16473 1/20 0.32
ATM Q13315 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
LMNA P02545 2/20 0.32
CA1 P00915 1/20 0.32
CA2 P00918 1/20 0.32
POLB P06746 1/20 0.30
KMT2A Q03164 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
SCHEMBL20773925 0.91 RECQL (0.52) RECQLFAAHCNR1CNR2TP53
SCHEMBL2437880 0.91 RECQL (0.52) RECQLFAAHCNR1CNR2TP53
SCHEMBL8408859 0.90 RECQL (0.54) RECQLFAAHCNR1CNR2TP53
SCHEMBL29923901 0.88 RECQL (0.52) RECQLFAAHCNR1CNR2TP53
SCHEMBL6128361 0.87 RECQL (0.51) RECQLFAAHCNR1CNR2TP53
SCHEMBL11360975 0.86 FAAH (0.51) RECQLFAAHCNR1CNR2TP53
SCHEMBL27962924 0.86 FAAH (0.51) RECQLFAAHCNR1CNR2TP53
SCHEMBL6121600 0.85 FAAH (0.50) RECQLFAAHCNR1CNR2TP53
SCHEMBL10172884 0.84 FAAH (0.52) RECQLFAAHCNR1CNR2TP53
SCHEMBL19874781 0.84 FAAH (0.52) RECQLFAAHCNR1CNR2TP53

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
CN-112264194-B High-efficiency flotation collector for high-sulfur iron easily-argillized fine-grained complex-embedded copper-molybdenum ores and preparation method and application thereof 昆明冶金研究院有限公司 2022-06-07 CN disclosed
CN-112264194-A High-efficiency flotation collector for high-sulfur iron easily-argillized fine-grained complex-embedded copper-molybdenum ores and preparation method and application thereof 昆明冶金研究院有限公司 2021-01-26 CN disclosed