SCHEMBL5364583

SCHEMBL5364583

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

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 3/20 0.39
HPGD P15428 1/20 0.35
CTSK P43235 4/20 0.33
CTSL P07711 3/20 0.33
CTSB P07858 3/20 0.33
CTSH P09668 2/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
CHRM2 P08172 2/20 0.33
CHRM1 P11229 2/20 0.33
CHRM3 P20309 2/20 0.33
ADRA1A P35348 1/20 0.33
CHRNA4 P43681 1/20 0.33
HTR3A P46098 1/20 0.33
KCNH2 Q12809 1/20 0.33
LMNA P02545 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
CHRM4 P08173 1/20 0.32
RAB9A P51151 1/20 0.32
FAAH O00519 1/20 0.31

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
SCHEMBL5533200 0.88 ALDH1A1 (0.41) CTSKCTSLCTSBCTSHMEN1
SCHEMBL5372188 0.86 HPGD (0.39) EPHX2HPGDCTSKCTSLCTSB
SCHEMBL5371895 0.85 FAAH (0.34) CTSKCTSLCTSBCTSHCHRM2
SCHEMBL5366417 0.82 PSMB5 (0.34) EPHX2HPGDCTSKCTSLCTSB
SCHEMBL5375453 0.81 EPHX2 (0.52) EPHX2HPGDMEN1KMT2ACHRM2
SCHEMBL28483461 0.80 ANPEP (0.38) EPHX2HPGDLMNA
SCHEMBL24654945 0.80 SLC6A1 (0.45) CTSKCTSLCTSBCTSHKMT2A
SCHEMBL10434986 0.79 CTSK (0.36) CTSKCTSLCTSBCTSHMEN1
SCHEMBL2991371 0.78 HPGD (0.41) EPHX2HPGDCTSKCTSLCTSB
SCHEMBL2984985 0.78 HPGD (0.41) EPHX2HPGDCTSKCTSLCTSB

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