SCHEMBL5372188

SCHEMBL5372188

CCC(C)OC(=O)C1CCCC(C(=O)OC(C)CC)C1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 1/20 0.39
EPHX2 P34913 2/20 0.38
LMNA P02545 2/20 0.36
ACACB O00763 1/20 0.34
CHRM2 P08172 1/20 0.33
CHRM4 P08173 1/20 0.33
CHRM1 P11229 1/20 0.33
CHRM3 P20309 1/20 0.33
CTSL P07711 2/20 0.33
CTSB P07858 2/20 0.33
CTSH P09668 2/20 0.33
CTSK P43235 2/20 0.33
RAB9A P51151 1/20 0.33
RECQL P46063 1/20 0.33
KMT2A Q03164 2/20 0.32
SMN1; SMN2 Q16637 2/20 0.32
HTT P42858 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
MEN1 O00255 1/20 0.32
ALDH1A1 P00352 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
SCHEMBL28483461 0.93 ANPEP (0.38) HPGDEPHX2LMNAACACBRECQL
SCHEMBL10321883 0.92 HPGD (0.41) HPGDEPHX2LMNAACACBCHRM2
SCHEMBL2984985 0.92 HPGD (0.41) HPGDEPHX2LMNAACACBCHRM2
SCHEMBL2991371 0.92 HPGD (0.41) HPGDEPHX2LMNAACACBCHRM2
SCHEMBL24287991 0.90 HPGD (0.36) HPGDEPHX2LMNAACACBCHRM2
SCHEMBL2986132 0.89 LMNA (0.41) HPGDLMNACHRM2CHRM4CHRM1
SCHEMBL7843971 0.89 LMNA (0.41) HPGDLMNACHRM2CHRM4CHRM1
SCHEMBL2988848 0.89 LMNA (0.41) HPGDLMNACHRM2CHRM4CHRM1
SCHEMBL2980853 0.87 ALDH1A1 (0.42) HPGDLMNACHRM2CHRM4CHRM1
SCHEMBL2987026 0.87 ALDH1A1 (0.42) HPGDLMNACHRM2CHRM4CHRM1

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
EP-1194396-B1 SELECTED CYCLOHEXANE-1,3- AND 1,4-DICARBOXYLIC ACID ESTERS BASF AG (DE) 2005-11-09 EP claimed
US-7208545-B1 Selected cyclohexane -1,3-and -1,4-dicarboxylic acid esters BASF AKTIENGESELLSCHAFT (DE) 2007-04-24 US disclosed