SCHEMBL12460558

SCHEMBL12460558

CC(C)CC(C)(C(=O)OCC1COC(C)(C)O1)C(C)C

nearest known ligand 0.42

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CA2 P00918 2/20 0.42
HTR7 P34969 1/20 0.32
TMEM97 Q5BJF2 1/20 0.31
SIGMAR1 Q99720 1/20 0.31
ALDH1A1 P00352 2/20 0.31
NPSR1 Q6W5P4 1/20 0.31
DGAT1 O75907 1/20 0.30
HCRTR2 O43614 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
SCHEMBL18286659 0.87 CA2 (0.43) CA2HTR7TMEM97SIGMAR1ALDH1A1
SCHEMBL12460564 0.85 PABPC1 (0.37) TMEM97SIGMAR1ALDH1A1
SCHEMBL5519006 0.84 CA2 (0.46) CA2HTR7TMEM97SIGMAR1ALDH1A1
SCHEMBL25514831 0.82 ALDH1A1 (0.42) ALDH1A1
SCHEMBL11922847 0.81 CA2 (0.50) CA2HTR7TMEM97SIGMAR1ALDH1A1
SCHEMBL23602332 0.78 CA2 (0.48) CA2HTR7TMEM97SIGMAR1ALDH1A1
SCHEMBL14036948 0.78 CA2 (0.48) CA2HTR7TMEM97SIGMAR1ALDH1A1
SCHEMBL9610772 0.78 CA2 (0.48) CA2HTR7TMEM97SIGMAR1ALDH1A1
SCHEMBL106425 0.78 CA2 (0.48) CA2HTR7TMEM97SIGMAR1ALDH1A1
SCHEMBL14929446 0.77 CA2 (0.47) CA2HTR7TMEM97SIGMAR1ALDH1A1

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
WO-2011083872-A1 PATTERN FORMING METHOD, ACTINIC RAY-SENSITIVE OR RADIATION-SENSITIVE RESIN COMPOSITION AND RESIST FILM FUJIFILM CORPORATION (JP) 2011-07-14 WO disclosed