SCHEMBL20123343

SCHEMBL20123343

CC1(C)[C@@]2(C)CC[C@]1(C(N)=O)OC2=O

nearest known ligand 0.58

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
POLB P06746 3/20 0.58
GAA P10253 2/20 0.58
ALOX12 P18054 1/20 0.55
HTT P42858 2/20 0.52
KMT2A Q03164 3/20 0.51
MEN1 O00255 2/20 0.51
NPSR1 Q6W5P4 1/20 0.50
PTBP1 P26599 1/20 0.50
TSHR P16473 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.50
ALDH1A1 P00352 5/20 0.49

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
SCHEMBL6714428 1.00 POLB (0.58) POLBGAAALOX12HTTKMT2A
SCHEMBL223631 0.83 POLB (0.59) POLBGAAALOX12HTTKMT2A
SCHEMBL98457 0.83 POLB (0.59) POLBGAAALOX12HTTKMT2A
SCHEMBL6206953 0.83 POLB (0.59) POLBGAAALOX12HTTKMT2A
SCHEMBL6479731 0.83 POLB (0.59) POLBGAAALOX12HTTKMT2A
SCHEMBL17816948 0.83 POLB (0.59) POLBGAAALOX12HTTKMT2A
SCHEMBL3192032 0.83 POLB (0.59) POLBGAAALOX12HTTKMT2A
SCHEMBL4124556 0.83 POLB (0.59) POLBGAAALOX12HTTKMT2A
SCHEMBL5575317 0.83 POLB (0.59) POLBGAAALOX12HTTKMT2A
SCHEMBL15143001 0.83 POLB (0.59) POLBGAAALOX12HTTKMT2A

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-2620436-B1 SUBSTITUTED POLYCYCLIC CARBAMOYL PYRIDONE DERIVATIVE PRODRUG SHIONOGI & CO (JP) 2018-05-09 EP disclosed