SCHEMBL9870799

SCHEMBL9870799

COC(C(C)=O)c1ccc2c(c1)OCO2

nearest known ligand 0.52

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.52
EDNRA P25101 3/20 0.52
CYP3A4 P08684 1/20 0.48
MEN1 O00255 4/20 0.46
HPGD P15428 1/20 0.46
PTGS1 P23219 1/20 0.45
PTGS2 P35354 1/20 0.45

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
SCHEMBL19416765 0.91 PTGS1 (0.56) PTGS1PTGS2
SCHEMBL2346146 0.88 KMT2A (0.56) KMT2AEDNRAMEN1HPGDPTGS1
SCHEMBL5319077 0.79 KMT2A (0.49) KMT2ACYP3A4MEN1HPGDPTGS1
SCHEMBL8796435 0.79 PTGS1 (0.66) KMT2ACYP3A4MEN1HPGDPTGS1
SCHEMBL15695562 0.79 PTGS1 (0.66) KMT2ACYP3A4MEN1HPGDPTGS1
SCHEMBL1580245 0.78 PTGS1 (0.65) PTGS1PTGS2
SCHEMBL14200154 0.78 CYP3A4 (0.49) KMT2ACYP3A4MEN1HPGDPTGS1
SCHEMBL27699145 0.78 KMT2A (0.51) KMT2AEDNRACYP3A4MEN1HPGD
SCHEMBL11296720 0.77 EDNRA (0.49) KMT2AEDNRACYP3A4MEN1HPGD
SCHEMBL1580362 0.77 PTGS1 (0.55) EDNRAPTGS1PTGS2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5008461-A Converting glycol monoether using alumina, silica, phosphate, or zeolite catalyst BASF AKTIENGESELLSCHAFT (DE) 1991-04-16 US disclosed