SCHEMBL5645968

SCHEMBL5645968

CC1(C2(C(=O)O)CCCCC2C(=O)O)CCCCC1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.36
POLB P06746 1/20 0.36
HSD11B1 P28845 3/20 0.36
SLC1A2 P43004 1/20 0.35
SLC1A1 P43005 1/20 0.35
FFAR3 O14843 1/20 0.31
CES2 O00748 1/20 0.31
CES1 P23141 1/20 0.31
GRM2 Q14416 2/20 0.31
GRM3 Q14832 2/20 0.31
GRM4 Q14833 2/20 0.31
CYP1A2 P05177 1/20 0.31
ALOX15 P16050 1/20 0.31
CYP2C19 P33261 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
GRM8 O00222 1/20 0.31
GRM6 O15303 1/20 0.31
GRM5 P41594 1/20 0.31
MTOR P42345 1/20 0.31
GRM1 Q13255 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
SCHEMBL25218266 0.87 GRM4 (0.38) LMNAPOLBHSD11B1SLC1A2SLC1A1
SCHEMBL21313418 0.80 HSD11B1 (0.33) LMNAPOLBHSD11B1CES2CES1
SCHEMBL5644047 0.78 HSD11B1 (0.31) LMNAPOLBHSD11B1GRM2CYP2C19
SCHEMBL5647079 0.78 SLC1A2 (0.33) LMNAPOLBHSD11B1SLC1A2SLC1A1
SCHEMBL5646787 0.76 HSD11B1 (0.30) LMNAPOLBHSD11B1
SCHEMBL5651667 0.74 SLC1A2 (0.30) SLC1A2SLC1A1
Cyclopentane SCHEMBL6061198 0.74 LMNA (0.38) LMNAPOLBHSD11B1SLC1A2SLC1A1
SCHEMBL2113419 0.74 HSD11B1 (0.32) LMNAHSD11B1CES2CES1GRM2
SCHEMBL6359438 0.74 GRM2 (0.33) LMNASLC1A2SLC1A1GRM2GRM3
SCHEMBL3482751 0.74 HSD11B1 (0.32) LMNAHSD11B1CES2CES1GRM2

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
US-7271282-B1 Dicarboxylic diester, process for producing the same, and refrigerating machine lubricating oil comprising the ester NEW JAPAN CHEMICAL CO., LTD. (JP) 2007-09-18 US disclosed