SCHEMBL6138542

SCHEMBL6138542

CCOC(=O)CCCCC(C=O)Cc1ccc(C(=O)OC)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP4Z1 Q86W10 2/20 0.41
KDM4E B2RXH2 1/20 0.41
ALDH1A1 P00352 1/20 0.40
CYP4A11 Q02928 2/20 0.40
KMT2A Q03164 1/20 0.40
RAB9A P51151 1/20 0.40
CYP4F11 Q9HBI6 1/20 0.40
CYP4F12 Q9HCS2 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
LOXL2 Q9Y4K0 1/20 0.40
CYP4F2 P78329 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
MAPK1 P28482 2/20 0.39
TDP1 Q9NUW8 2/20 0.39
GAA P10253 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
NPC1 O15118 1/20 0.39
LTA4H P09960 1/20 0.39
EPHX2 P34913 1/20 0.38
LMNA P02545 1/20 0.38

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
SCHEMBL3594773 0.93 SMN1; SMN2 (0.44) CYP4Z1KDM4ECYP4A11KMT2ARAB9A
SCHEMBL3594770 0.90 CYP4A11 (0.43) KDM4EALDH1A1CYP4A11RAB9ASMN1; SMN2
SCHEMBL6001848 0.87 CYP4A11 (0.44) KDM4EALDH1A1CYP4A11RAB9ASMN1; SMN2
SCHEMBL9442229 0.85 POLB (0.45) KDM4EALDH1A1CYP4A11RAB9ALOXL2
SCHEMBL2294774 0.81 CYP4Z1 (0.39) CYP4Z1ALDH1A1CYP4A11RAB9ACYP4F11
SCHEMBL3592364 0.81 LTA4H (0.40) KDM4EALDH1A1CYP4A11RAB9ASMN1; SMN2
SCHEMBL2294361 0.80 CYP4A11 (0.43) KDM4EALDH1A1CYP4A11KMT2ASMN1; SMN2
SCHEMBL3016468 0.79 CYP4A11 (0.53) ALDH1A1CYP4A11LOXL2CYP4F2TDP1
SCHEMBL3596235 0.77 LOXL2 (0.47) KDM4EALDH1A1CYP4A11KMT2ASMN1; SMN2
SCHEMBL4547658 0.77 CYP1A2 (0.39) CYP4Z1ALDH1A1CYP4A11KMT2ACYP4F11

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
EP-1216223-B1 NOVEL DICARBOXYLIC ACID DERIVATIVES WITH PHARMACEUTICAL PROPERTIES BAYER HEALTHCARE AG (DE) 2005-11-09 EP disclosed