SCHEMBL12116552

SCHEMBL12116552

CCC(C)(C)C(=O)OCCC1CCC(C)CC1

nearest known ligand 0.40

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
HMGCR P04035 4/20 0.40
FKBP1A P62942 4/20 0.37
HRH3 Q9Y5N1 5/20 0.32
LNPEP Q9UIQ6 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
SCHEMBL12116546 0.85 FKBP1A (0.49) HMGCRFKBP1A
SCHEMBL16020224 0.82 HMGCR (0.39) HMGCRFKBP1A
SCHEMBL12026694 0.81 FKBP1A (0.41) HMGCRFKBP1A
SCHEMBL25516650 0.78 HMGCR (0.37) HMGCRFKBP1A
SCHEMBL12026692 0.78 HMGCR (0.34) HMGCRFKBP1A
SCHEMBL13561251 0.77 HMGCR (0.44) HMGCRFKBP1A
SCHEMBL16744376 0.75 FKBP1A (0.60) HMGCRFKBP1A
SCHEMBL824523 0.75 CYP4F2 (0.41) HMGCR
SCHEMBL16020225 0.75 GPR119 (0.47)
SCHEMBL20024446 0.75 HMGCR (0.35) HMGCRFKBP1A

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
US-20110269071-A1 ACTINIC RAY-SENSITIVE OR RADIATION-SENSITIVE RESIN COMPOSITION, CHEMICAL AMPLIFICATION RESIST COMPOSITION, AND RESIST FILM AND PATTERN FORMING METHOD USING THE COMPOSITION FUJIFILM CORPORATION (JP) 2011-11-03 US disclosed