SCHEMBL9691641

SCHEMBL9691641

COC(=O)C1OC1c1ccc([N+](=O)[O-])cc1

nearest known ligand 0.52

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 1/20 0.52
MAPT P10636 1/20 0.47
TSHR P16473 1/20 0.44
KMT2A Q03164 3/20 0.43
MEN1 O00255 2/20 0.43
POLB P06746 4/20 0.43
LMNA P02545 1/20 0.43
ADORA3 P0DMS8 1/20 0.42
ALDH1A1 P00352 1/20 0.41
MAPK1 P28482 1/20 0.41

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
SCHEMBL9527149 0.85 EPHX1 (0.49) EPHX1TSHRKMT2AMEN1POLB
SCHEMBL8746385 0.84 TSHR (0.67) EPHX1MAPTTSHRKMT2AMEN1
SCHEMBL9692321 0.84 HIF1A (0.47) MAPTTSHRKMT2AMEN1POLB
SCHEMBL8746372 0.80 EPHX1 (0.53) EPHX1TSHRKMT2AMEN1POLB
SCHEMBL8746369 0.80 EPHX1 (0.53) EPHX1TSHRKMT2AMEN1POLB
SCHEMBL8746368 0.80 EPHX1 (0.53) EPHX1TSHRKMT2AMEN1POLB
SCHEMBL8503544 0.79 BACE1 (0.52) MAPTTSHRLMNAALDH1A1
SCHEMBL7902731 0.79 TSHR (0.54) EPHX1MAPTTSHRKMT2AMEN1
SCHEMBL7141149 0.79 BACE1 (0.52) MAPTTSHRLMNAALDH1A1
SCHEMBL8856846 0.79 BACE1 (0.52) MAPTTSHRLMNAALDH1A1

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