SCHEMBL1104200

SCHEMBL1104200

CCC(C)(C)C(=O)OCCCCOC(=O)CCC(O)O

nearest known ligand 0.36

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 1/20 0.36
NAAA Q02083 1/20 0.36
DGKA P23743 1/20 0.36
HMGCR P04035 2/20 0.36
KMT2A Q03164 2/20 0.35
POLB P06746 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.33
PRSS1 P07477 1/20 0.33
PRSS2 P07478 1/20 0.33
PRSS3 P35030 1/20 0.33
CYP4F2 P78329 1/20 0.32
CYP4A11 Q02928 1/20 0.32
MAPT P10636 1/20 0.32
RAD52 P43351 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32

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
SCHEMBL1104130 0.94 DGKA (0.38) DGKAHMGCRKMT2APOLBL3MBTL1
SCHEMBL17790760 0.88 DGKA (0.43) DGKAHMGCRKMT2APOLBL3MBTL1
SCHEMBL1104147 0.83 HMGCR (0.34) NAAAHMGCRCYP4F2CYP4A11
SCHEMBL12602865 0.81 HMGCR (0.38) HMGCRCYP4F2CYP4A11
SCHEMBL1104160 0.81 CYP4F2 (0.35) NAAAHMGCRCYP4F2CYP4A11
SCHEMBL13667082 0.81 CYP4F2 (0.42) NAAACYP4F2CYP4A11
SCHEMBL14033093 0.81 DGKA (0.59) HTR2CNAAADGKAPRSS1PRSS2
SCHEMBL10123423 0.81 HTR2C (0.41) HTR2CNAAADGKAHMGCRPRSS1
SCHEMBL18378177 0.80 DGKA (0.44) HTR2CNAAADGKAPRSS1PRSS2
SCHEMBL13557205 0.79 DGKA (0.45) HTR2CNAAADGKAHMGCRCYP4F2

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8151705-B2 Method of preparing lithographic printing plate FUJIFILM CORPORATION (JP) 2012-04-10 US disclosed
US-20100081771-A1 METHOD OF PREPARING LITHOGRAPHIC PRINTING PLATE FUJIFILM CORPORATION (JP) 2010-04-01 US disclosed