SCHEMBL9692676

SCHEMBL9692676

COC(=O)C1OC1c1ccc(OCc2ccccc2)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.53
RAB9A P51151 2/20 0.53
SMN1; SMN2 Q16637 2/20 0.53
MAOB P27338 1/20 0.51
ALDH1A1 P00352 2/20 0.50
NR4A1 P22736 1/20 0.50
NR4A2 P43354 1/20 0.50
NR4A3 Q92570 1/20 0.50
TSHR P16473 1/20 0.50
NOX1 Q9Y5S8 2/20 0.48
PARP10 Q53GL7 1/20 0.48
LMNA P02545 1/20 0.47
CYP1A2 P05177 1/20 0.47
PTGS1 P23219 1/20 0.47
SLC6A2 P23975 1/20 0.47
CYP2C19 P33261 1/20 0.47
PTGS2 P35354 1/20 0.47
SLC6A3 Q01959 1/20 0.47
HIF1A Q16665 1/20 0.47
HDAC6 Q9UBN7 1/20 0.47

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
SCHEMBL7926767 0.86 NR4A1 (0.55) NPC1RAB9ASMN1; SMN2MAOBALDH1A1
SCHEMBL4024959 0.86 MAOB (0.48) NPC1RAB9ASMN1; SMN2MAOBNR4A1
SCHEMBL9690172 0.86 MAOB (0.51) RAB9AMAOBALDH1A1NR4A2TSHR
SCHEMBL27902768 0.82 KDM4E (0.50) NPC1RAB9ASMN1; SMN2MAOBALDH1A1
SCHEMBL15446214 0.81 TSHR (0.53) NPC1RAB9ASMN1; SMN2ALDH1A1TSHR
SCHEMBL8856846 0.81 BACE1 (0.52) NPC1RAB9ASMN1; SMN2ALDH1A1TSHR
SCHEMBL8503544 0.81 BACE1 (0.52) NPC1RAB9ASMN1; SMN2ALDH1A1TSHR
SCHEMBL3201279 0.81 BACE1 (0.52) NPC1RAB9ASMN1; SMN2ALDH1A1TSHR
SCHEMBL7141149 0.81 BACE1 (0.52) NPC1RAB9ASMN1; SMN2ALDH1A1TSHR
SCHEMBL3201276 0.81 BACE1 (0.52) NPC1RAB9ASMN1; SMN2ALDH1A1TSHR

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