SCHEMBL9303678

SCHEMBL9303678

O=C1COC(=O)C2(CCCCC2)O1

nearest known ligand 0.38

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.38
KMT2A Q03164 1/20 0.38
POLB P06746 2/20 0.35
KDM4E B2RXH2 1/20 0.35
LMNA P02545 1/20 0.35
MAPT P10636 1/20 0.35
RAB9A P51151 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
HSD11B1 P28845 1/20 0.33
HPGD P15428 1/20 0.33
GAA P10253 1/20 0.30
MAPK1 P28482 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
SCHEMBL5571095 0.68 POLB (0.37) ALDH1A1KMT2APOLBKDM4ELMNA
SCHEMBL19663105 0.65
SCHEMBL18287701 0.65 ALDH1A1 (0.37) ALDH1A1KMT2APOLBKDM4ELMNA
SCHEMBL531260 0.65 LMNA (0.31) LMNA
SCHEMBL4713118 0.65 POLB (0.34) ALDH1A1KMT2APOLBKDM4ELMNA
SCHEMBL1133003 0.65 TDP1 (0.34) ALDH1A1POLBKDM4ELMNAMAPT
SCHEMBL10028031 0.65 LMNA (0.36) ALDH1A1LMNA
Cyclopropane SCHEMBL17923269 0.64 ALDH1A1 (0.41) ALDH1A1LMNA
SCHEMBL7603692 0.64 ALDH1A1 (0.41) ALDH1A1LMNA
SCHEMBL37684 0.63

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5326887-A Reacting ester of alpha hydroxy acid oligomer over fixed bed catalyst E. I. DU PONT DE NEMOURS AND COMPANY (US) 1994-07-05 US disclosed
WO-1992015572-A1 PROCESS FOR THE PREPARATION OF 1,4-DIOXANE-2,5-DIONES E.I. DU PONT DE NEMOURS AND COMPANY (US) 1992-09-17 WO disclosed