SCHEMBL8613063

SCHEMBL8613063

O=C(OC(CO)C1CCCCC1)C1CCC(C(=O)OC(CO)C2CCCCC2)CC1

nearest known ligand 0.35

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 3/20 0.35
ALDH1A1 P00352 2/20 0.33
CES2 O00748 1/20 0.32
CES1 P23141 1/20 0.32
POLB P06746 1/20 0.32
SMN1; SMN2 Q16637 3/20 0.31
LMNA P02545 2/20 0.31
TP53 P04637 1/20 0.31
KDM4E B2RXH2 1/20 0.31
GMNN O75496 1/20 0.31
MAPT P10636 1/20 0.31
BLM P54132 1/20 0.31
PMP22 Q01453 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
SCHEMBL8613059 0.93 PLG (0.34) EPHX1ALDH1A1LMNA
SCHEMBL28995556 0.79 EPHX1 (0.45) EPHX1ALDH1A1SMN1; SMN2LMNATP53
SCHEMBL28995554 0.79 EPHX1 (0.45) EPHX1ALDH1A1SMN1; SMN2LMNATP53
SCHEMBL9607899 0.75 SHBG (0.35) EPHX1ALDH1A1
SCHEMBL12152925 0.75 EPHX1 (0.35) EPHX1ALDH1A1
SCHEMBL14463106 0.75 SMN1; SMN2 (0.42) EPHX1ALDH1A1CES2CES1POLB
SCHEMBL11859113 0.74 EPHX1 (0.36) EPHX1ALDH1A1
SCHEMBL14451346 0.74 SHBG (0.33) EPHX1ALDH1A1POLBSMN1; SMN2
SCHEMBL7189500 0.73 CES2 (0.39) EPHX1ALDH1A1CES2CES1POLB
SCHEMBL26186177 0.73 ADRB2 (0.37) EPHX1ALDH1A1

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-5395987-A Hydrogenation of ester EASTMAN CHEMICAL COMPANY (US) 1995-03-07 US 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-5395991-A Regeneration of hydrogenation catalyst EASTMAN CHEMICAL COMPANY (US) 1995-03-07 US disclosed