SCHEMBL17833871

SCHEMBL17833871

CCC(OC(=O)C(C)(C)CC)OC1CCCC1

nearest known ligand 0.36

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
HMGCR P04035 2/20 0.36
FKBP1A P62942 4/20 0.33
EPHX1 P07099 1/20 0.33
CCR2 P41597 1/20 0.31
NAAA Q02083 2/20 0.31
CYP19A1 P11511 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
SCHEMBL16590977 0.98 HMGCR (0.35) HMGCRFKBP1AEPHX1CCR2NAAA
SCHEMBL16591040 0.88 HMGCR (0.37) HMGCRFKBP1AEPHX1CCR2NAAA
SCHEMBL15294609 0.87 HMGCR (0.34) HMGCRFKBP1AEPHX1NAAACYP19A1
SCHEMBL16591071 0.85 CTSK (0.36) HMGCRFKBP1AEPHX1
SCHEMBL15945476 0.85 HMGCR (0.36) HMGCRFKBP1AEPHX1NAAACYP19A1
SCHEMBL26939721 0.83 EPHX1 (0.32) EPHX1NAAA
SCHEMBL16591001 0.83 HMGCR (0.36) HMGCRFKBP1AEPHX1CCR2NAAA
SCHEMBL16591036 0.82 HMGCR (0.32) HMGCR
SCHEMBL26939733 0.82 EPHX1 (0.34) EPHX1NAAACYP19A1
SCHEMBL786123 0.81 HMGCR (0.36) HMGCRFKBP1AEPHX1CCR2NAAA

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-20160170303-A1 LAMINATE BODY FUJIFILM CORPORATION (JP) 2016-06-16 US disclosed