SCHEMBL9197403

SCHEMBL9197403

CC(=O)OCOCC(COC(C)C)OC(C)C

nearest known ligand 0.34

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
ALDH1A1 P00352 3/20 0.31
TSHR P16473 2/20 0.31
LMNA P02545 1/20 0.31
HSD17B10 Q99714 1/20 0.31
TDP1 Q9NUW8 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
SCHEMBL9019766 0.81 TSHR (0.36) MEN1KMT2AALDH1A1TSHRLMNA
SCHEMBL9575377 0.80
SCHEMBL9193268 0.79 TSHR (0.34) MEN1KMT2AALDH1A1TSHRLMNA
SCHEMBL11258229 0.79 ALDH1A1 (0.37) MEN1KMT2AALDH1A1TSHRLMNA
SCHEMBL9826886 0.78 TDP1 (0.36) MEN1KMT2AALDH1A1TSHRLMNA
SCHEMBL9192156 0.77 ALDH1A1 (0.50) MEN1KMT2AALDH1A1TSHRTDP1
SCHEMBL20438400 0.76
SCHEMBL19543422 0.76
SCHEMBL5959322 0.76
SCHEMBL9197104 0.75 MEN1 (0.32) MEN1KMT2AALDH1A1TSHRLMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0448006-B1 Process for the preparation of acylales HOECHST AG (DE) 1995-01-25 EP disclosed
US-5231221-A PROCESS FOR THE PREPARATION OF ACYLALS HOECHST AKTIENGESELLSCHAFT (DE) 1993-07-27 US disclosed
EP-0452680-A1 Substituted purines, process for their preparation and their use as antiviral agents HOECHST AKTIENGESELLSCHAFT (DE) 1991-10-23 EP disclosed
EP-0448006-A2 Process for the preparation of acylales HOECHST AKTIENGESELLSCHAFT (DE) 1991-09-25 EP disclosed