SCHEMBL8613059

SCHEMBL8613059

O=C(O)C1CCC(C(=O)OC(CO)C2CCCCC2)CC1

nearest known ligand 0.34

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PLG P00747 1/20 0.34
PLAT P00750 1/20 0.34
LMNA P02545 1/20 0.34
ALDH1A1 P00352 2/20 0.33
ANPEP P15144 1/20 0.32
ENPEP Q07075 1/20 0.32
EPHX1 P07099 1/20 0.32
FABP7 O15540 1/20 0.31
FABP5 Q01469 1/20 0.31
FKBP1A P62942 2/20 0.30
GAA P10253 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
SCHEMBL8613063 0.93 EPHX1 (0.35) LMNAALDH1A1EPHX1
SCHEMBL28995556 0.74 EPHX1 (0.45) LMNAALDH1A1EPHX1
SCHEMBL28995554 0.74 EPHX1 (0.45) LMNAALDH1A1EPHX1
Ethylene Glycol SCHEMBL1297222 0.73 PLG (0.38) PLGPLATLMNAALDH1A1ANPEP
SCHEMBL21896791 0.73 LMNA (0.34) PLGPLATLMNAANPEPENPEP
SCHEMBL1297406 0.71 LMNA (0.39) PLGPLATLMNAALDH1A1ANPEP
SCHEMBL14463106 0.70 SMN1; SMN2 (0.42) LMNAALDH1A1EPHX1
SCHEMBL7189500 0.68 CES2 (0.39) LMNAALDH1A1EPHX1
Ethylene Glycol SCHEMBL1296986 0.68 FABP7 (0.45) PLGPLATLMNAEPHX1FABP7
Glycerin SCHEMBL18139233 0.67 CES2 (0.42) PLGPLATLMNAALDH1A1ANPEP

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0656334-B1 Process for the production of cyclohexanedimethanol, with preponderance of the trans-isomer EASTMAN CHEM CO (US) 1998-04-22 EP disclosed
EP-0656338-B1 Vapour phase hydrogenation of esters or lactones to hydroxy compounds EASTMAN CHEM CO (US) 1997-12-03 EP disclosed
EP-0656337-B1 Process for the production of 1,4-cyclohexanedimethanol EASTMAN CHEM CO (US) 1997-07-30 EP disclosed
EP-0656337-A1 Process for the production of 1,4-cydohexanedimethanol EASTMAN CHEMICAL COMPANY (US) 1995-06-07 EP disclosed
EP-0656334-A1 Process for the production of cydohexanedimethanol, with preponderance of the trans-isomer EASTMAN CHEMICAL COMPANY (US) 1995-06-07 EP disclosed
EP-0656338-A1 Vapour phase hydrogenation of esters or lactones to hydroxy compounds EASTMAN CHEMICAL COMPANY (US) 1995-06-07 EP disclosed
US-5395986-A Hydrogenation of dialkyl cyclohexanedicarboxylate using copper or group VIII compound catalysts; high trans configuration to cis ratio EASTMAN CHEMICAL COMPANY (US) 1995-03-07 US disclosed
US-5395987-A Hydrogenation of ester EASTMAN CHEMICAL COMPANY (US) 1995-03-07 US disclosed
US-5395991-A Regeneration of hydrogenation catalyst EASTMAN CHEMICAL COMPANY (US) 1995-03-07 US disclosed