SCHEMBL28088919

SCHEMBL28088919

CC(CC1CCCC1=O)C1CCCC1=O

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PTGS1 P23219 8/20 0.40
PTGS2 P35354 8/20 0.40
OPRK1 P41145 1/20 0.40
HTT P42858 1/20 0.40
KMT2A Q03164 1/20 0.40
NPC1 O15118 3/20 0.39
RAB9A P51151 3/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
LMNA P02545 1/20 0.39
ACE P12821 1/20 0.35
GAA P10253 1/20 0.35
CYP2D6 P10635 1/20 0.35
ALDH1A1 P00352 1/20 0.34
HPGD P15428 1/20 0.34
KDM4E B2RXH2 1/20 0.33
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
CA4 P22748 1/20 0.33
CA6 P23280 1/20 0.33

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
SCHEMBL25699734 0.82 CYP2D6 (0.34) PTGS1PTGS2OPRK1HTTKMT2A
SCHEMBL22601732 0.82 ACE (0.34) PTGS1PTGS2OPRK1HTTKMT2A
SCHEMBL2691668 0.80 PTGS1 (0.44) PTGS1PTGS2OPRK1HTTKMT2A
SCHEMBL10453942 0.79 CYP2D6 (0.44) PTGS1PTGS2OPRK1HTTKMT2A
SCHEMBL13104108 0.79 CYP2D6 (0.44) PTGS1PTGS2OPRK1HTTKMT2A
SCHEMBL28932789 0.77 PTGS2 (0.45) PTGS1PTGS2OPRK1HTTKMT2A
SCHEMBL2015158 0.76 PTGS1 (0.41) PTGS1PTGS2OPRK1HTTKMT2A
SCHEMBL11904413 0.76 CYP2D6 (0.39) PTGS1PTGS2OPRK1HTTKMT2A
SCHEMBL918474 0.75 CA1 (0.45) PTGS1PTGS2OPRK1HTTKMT2A
SCHEMBL20165714 0.75 CA1 (0.45) PTGS1PTGS2OPRK1HTTKMT2A

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
CN-104203986-B Modified polymer composition 盛禧奥欧洲有限责任公司 2016-08-24 CN disclosed