SCHEMBL9691992

SCHEMBL9691992

COC(=O)C1(C)OC1(C)c1ccccc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.51
MEN1 O00255 2/20 0.51
HTT P42858 2/20 0.50
IDO1 P14902 1/20 0.38
TSHR P16473 2/20 0.38
CYP3A4 P08684 2/20 0.36
ALOX15 P16050 1/20 0.36
KDM4E B2RXH2 3/20 0.36
ALDH1A1 P00352 3/20 0.36
POLB P06746 2/20 0.36
HPGD P15428 2/20 0.36
HSD17B10 Q99714 2/20 0.36
HCAR3 P49019 1/20 0.36
HCAR2 Q8TDS4 1/20 0.36
CYP1A2 P05177 1/20 0.36
MAPT P10636 1/20 0.35
KCNN4 O15554 1/20 0.35
LMNA P02545 1/20 0.35
GAA P10253 1/20 0.35
ADAM17 P78536 1/20 0.35

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
SCHEMBL27320951 0.81 HCAR3 (0.40) KMT2AMEN1HTTTSHRALDH1A1
SCHEMBL9692718 0.81 KMT2A (0.50) KMT2AMEN1HTTIDO1TSHR
SCHEMBL9692795 0.77 KMT2A (0.46) KMT2AMEN1HTTTSHRCYP3A4
SCHEMBL9690243 0.76 KMT2A (0.53) KMT2AMEN1HTTIDO1TSHR
SCHEMBL14966942 0.71 KMT2A (0.47) KMT2AMEN1HTTTSHRCYP3A4
SCHEMBL9692327 0.70 HTT (0.43) KMT2AMEN1HTT
SCHEMBL830804 0.69 MEN1 (0.53) KMT2AMEN1HTTTSHRLMNA
SCHEMBL9692257 0.69 MEN1 (0.45) KMT2AMEN1HTTTSHRCYP3A4
SCHEMBL7145021 0.69 HTT (0.47) KMT2AMEN1HTTTSHRCYP3A4
SCHEMBL11432661 0.69 ALDH1A1 (0.41) TSHRALDH1A1POLBHCAR3HCAR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0153692-B1 METHOD FOR ISOMERIZATION A GLYCIDATE DERIVATIVE SAGAMI CHEMICAL RESEARCH CENTER (JP) 1992-07-29 EP disclosed
US-4621150-A METAL PERHALATE OR SULFONATE OR COMPLEX; GLYCIDATE, 2-HYDROXY-3-BUTENOATE, EPOXIDE SAGAMI CHEMICAL RESEARCH CENTER (JP) 1986-11-04 US disclosed
EP-0153692-A2 Method for isomerization a glycidate derivative SAGAMI CHEMICAL RESEARCH CENTER (JP) 1985-09-04 EP disclosed