SCHEMBL5375453

SCHEMBL5375453

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

nearest known ligand 0.52

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 3/20 0.52
PRKCA P17252 2/20 0.38
PRKCD Q05655 2/20 0.38
HPGD P15428 1/20 0.34
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
LMNA P02545 2/20 0.32
SMN1; SMN2 Q16637 2/20 0.32
CHRM2 P08172 2/20 0.32
CHRM1 P11229 2/20 0.32
CHRM3 P20309 2/20 0.32
ADRA1A P35348 1/20 0.32
CHRNA4 P43681 1/20 0.32
HTR3A P46098 1/20 0.32
KCNH2 Q12809 1/20 0.32
CHRM4 P08173 1/20 0.31
RAB9A P51151 1/20 0.31
MME P08473 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
SCHEMBL5371935 0.86 PRKCA (0.41) EPHX2PRKCAPRKCDLMNASMN1; SMN2
SCHEMBL28485835 0.83 EPHX2 (0.44) EPHX2HPGDLMNASMN1; SMN2CHRM2
SCHEMBL5364583 0.81 EPHX2 (0.39) EPHX2HPGDMEN1KMT2ALMNA
SCHEMBL5372188 0.81 HPGD (0.39) EPHX2HPGDMEN1KMT2ALMNA
SCHEMBL27300462 0.81 SMN1; SMN2 (0.43) EPHX2MEN1KMT2ALMNASMN1; SMN2
SCHEMBL22333535 0.80 EPHX2 (0.44) EPHX2HPGDMEN1KMT2ALMNA
SCHEMBL5372110 0.80 EPHX2 (0.45) EPHX2
SCHEMBL5362953 0.80 EPHX2 (0.45) EPHX2
SCHEMBL5363251 0.80 EPHX2 (0.45) EPHX2
SCHEMBL27646579 0.80 EPHX2 (0.45) EPHX2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7208545-B1 Selected cyclohexane -1,3-and -1,4-dicarboxylic acid esters BASF AKTIENGESELLSCHAFT (DE) 2007-04-24 US claimed
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