SCHEMBL11282151

SCHEMBL11282151

CCCCOC(CC)(C(=O)O)C(=O)C(CC)CC

nearest known ligand 0.39

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CA2 P00918 6/20 0.39
MAPK1 P28482 1/20 0.39
CA1 P00915 4/20 0.36
ALDH1A1 P00352 1/20 0.33
HCAR2 Q8TDS4 1/20 0.32
ATM Q13315 2/20 0.32
ESR1 P03372 1/20 0.30
GAA P10253 1/20 0.30
XBP1 P17861 1/20 0.30
NPSR1 Q6W5P4 1/20 0.30
L3MBTL1 Q9Y468 1/20 0.30
HPGD P15428 1/20 0.30
TSHR P16473 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
SCHEMBL939519 0.84 CA2 (0.39) CA2MAPK1CA1ALDH1A1ATM
SCHEMBL1263411 0.81 ALDH1A1 (0.32) ALDH1A1HCAR2ATMTSHR
SCHEMBL647009 0.81 ALDH1A1 (0.32) ALDH1A1HCAR2ATMTSHR
SCHEMBL645728 0.81 ALDH1A1 (0.32) ALDH1A1HCAR2ATMTSHR
SCHEMBL3305500 0.72 CES2 (0.47) ALDH1A1HCAR2ATMTSHR
SCHEMBL16055208 0.72 LMNA (0.36) ALDH1A1HCAR2GAA
SCHEMBL1942207 0.70 CA2 (0.41) CA2MAPK1CA1ALDH1A1ATM
SCHEMBL106786 0.70 CA2 (0.41) CA2MAPK1CA1ALDH1A1ATM
SCHEMBL1263825 0.70
SCHEMBL106127 0.70 CA2 (0.41) CA2MAPK1CA1ALDH1A1ATM

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-0049083-A1 Laminated film TORAY INDUSTRIES, INC. (JP) 1982-04-07 EP disclosed