SCHEMBL9683576

SCHEMBL9683576

CC(C)(C)NC(C)(C)CC(=O)OC(C)(C)C

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DGAT1 O75907 1/20 0.37
CYP2D6 P10635 1/20 0.36
CA2 P00918 2/20 0.34
CA12 O43570 2/20 0.34
CA14 Q9ULX7 2/20 0.34
TDP1 Q9NUW8 1/20 0.33
CA1 P00915 2/20 0.32
CA7 P43166 2/20 0.32
MTNR1A P48039 1/20 0.32
MTNR1B P49286 1/20 0.32
HDAC3 O15379 1/20 0.32
HDAC1 Q13547 1/20 0.32
HDAC2 Q92769 1/20 0.32
HDAC8 Q9BY41 1/20 0.32
HDAC6 Q9UBN7 1/20 0.32
MEN1 O00255 1/20 0.32
GAA P10253 1/20 0.32
KMT2A Q03164 1/20 0.32
PKM P14618 1/20 0.32
CTSK P43235 1/20 0.31

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
SCHEMBL27371022 0.80 DGAT1 (0.35) DGAT1CYP2D6CA2CA12CA14
SCHEMBL19792256 0.78 TDP1 (0.35) DGAT1CYP2D6CA2CA12CA14
SCHEMBL27426176 0.78 CYP2D6 (0.41) DGAT1CYP2D6CA2CA12CA14
SCHEMBL27848464 0.78 DGAT1 (0.34) DGAT1CYP2D6CA2CA12CA14
SCHEMBL52466 0.77 CA12 (0.35) DGAT1CYP2D6CA2CA12CA14
SCHEMBL27425100 0.77 CYP2D6 (0.40) DGAT1CYP2D6CA2CA12CA14
SCHEMBL4553890 0.75 DGAT1 (0.37) DGAT1CYP2D6CA2CA12CA14
SCHEMBL1115385 0.75 TDP1 (0.44) DGAT1CYP2D6CA2CA12CA14
SCHEMBL6050243 0.75 CA12 (0.34) DGAT1CYP2D6CA2CA12CA14
SCHEMBL241533 0.75 DGAT1 (0.46) DGAT1CYP2D6CA2CA12CA14

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-0467248-A2 Pyrazolopyridine compound and processes for preparation thereof FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1992-01-22 EP disclosed