SCHEMBL8397241

SCHEMBL8397241

CCOC(=O)C1(C(=O)OCC)COC(C(C)C)OC1

nearest known ligand 0.37

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.37
CYP3A4 P08684 1/20 0.33
CYP2C19 P33261 1/20 0.33
POLB P06746 1/20 0.33
OPRM1 P35372 1/20 0.32
GAA P10253 1/20 0.32
ALDH1A1 P00352 3/20 0.31
LMNA P02545 1/20 0.30
HSD17B10 Q99714 1/20 0.30
TRPM8 Q7Z2W7 1/20 0.30
BRD4 O60885 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
SCHEMBL8400790 0.80 ATM (0.33) ATMALDH1A1
SCHEMBL6232003 0.77 ALDH1A1 (0.38) ALDH1A1
SCHEMBL30343256 0.76 ATM (0.37) ATMPOLBALDH1A1LMNAHSD17B10
SCHEMBL9708702 0.74 MAPK1 (0.30) CYP2C19LMNA
SCHEMBL8038682 0.73 POLB (0.35) ATMCYP3A4CYP2C19POLBGAA
SCHEMBL1173871 0.72 ATM (0.42) ATMCYP3A4CYP2C19POLBOPRM1
SCHEMBL11620948 0.71 CYP3A4 (0.37) CYP3A4CYP2C19GAAALDH1A1LMNA
SCHEMBL1868349 0.71 ATM (0.41) ATMPOLBOPRM1GAAALDH1A1
SCHEMBL9613980 0.70 MEN1 (0.49) CYP2C19OPRM1GAAALDH1A1BRD4
SCHEMBL9686765 0.69 ATM (0.40) ATMPOLBOPRM1GAAALDH1A1

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-5932747-A Method for preparing 1,3-dioxane compounds HUELS AKTIENGESELLSCHAFT (DE) 1999-08-03 US disclosed
US-4521327-A STRESS RESISTANCE, PHOTOSTABILITY, ELECTRICAL RESISTANCE, LOW BIREFRINGENCE VEB WERK FUR FERNSEHELEKTRONIK IM VEB KOMBINAT MIKROELEKTRONIK (DD) 1985-06-04 US disclosed