SCHEMBL9690291

SCHEMBL9690291

COC(=O)C(=O)C(C)c1ccc(OC)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 3/20 0.51
MEN1 O00255 2/20 0.51
KMT2A Q03164 2/20 0.51
MAPT P10636 2/20 0.49
GPR88 Q9GZN0 1/20 0.49
CYP3A4 P08684 1/20 0.49
PPARG P37231 1/20 0.49
PTGS2 P35354 3/20 0.47
PTGS1 P23219 2/20 0.47
AKR1C3 P42330 2/20 0.47
AKR1C2 P52895 2/20 0.47
TSHR P16473 2/20 0.47
CYP1A2 P05177 2/20 0.47
CDC42 P60953 1/20 0.47
RAC1 P63000 1/20 0.47
SLC22A6 Q4U2R8 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47
ACACB O00763 1/20 0.46
AOC3 Q16853 1/20 0.46
CA1 P00915 2/20 0.46

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
SCHEMBL11649991 0.85 PTGS2 (0.69) MAPTPTGS2PTGS1AKR1C3AKR1C2
SCHEMBL9692381 0.83 TDP1 (0.44) MEN1KMT2AMAPTLMNAACHE
SCHEMBL9577880 0.83 PTGS2 (0.53) RAB9AMEN1KMT2AMAPTGPR88
SCHEMBL9692751 0.81 FFAR2 (0.46) RAB9AMEN1KMT2ASMN1; SMN2HPGD
SCHEMBL7636997 0.81 KMT2A (0.52) KMT2AGPR88CYP3A4PTGS2PTGS1
SCHEMBL4007061 0.81 MEN1 (0.54) RAB9AMEN1KMT2AMAPTGPR88
SCHEMBL8834311 0.80 MEN1 (0.54) RAB9AMEN1KMT2AMAPTGPR88
SCHEMBL496445 0.80 RAB9A (0.46) RAB9AMEN1KMT2APTGS2PTGS1
SCHEMBL9577268 0.80 MAPT (0.55) RAB9AMEN1KMT2AMAPTGPR88
SCHEMBL10416273 0.79 MEN1 (0.50) RAB9AMEN1KMT2AMAPTGPR88

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