SCHEMBL9691540

SCHEMBL9691540

COC(=O)C1OC1c1ccc(C)c(C)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.46
F13A1 P00488 1/20 0.39
TGM2 P21980 1/20 0.39
ALDH1A1 P00352 2/20 0.39
MAPT P10636 2/20 0.39
ITGA4 P13612 1/20 0.39
BACE1 P56817 2/20 0.37
EPHX1 P07099 3/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
KMT2A Q03164 2/20 0.36
KCNA5 P22460 1/20 0.35
POLB P06746 2/20 0.35
SLC6A4 P31645 1/20 0.35
SLC6A3 Q01959 1/20 0.35
TP53 P04637 2/20 0.34
CES2 O00748 1/20 0.34
CES1 P23141 1/20 0.34
MEN1 O00255 1/20 0.34
CYP1A2 P05177 1/20 0.34
CYP2C9 P11712 1/20 0.34

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
SCHEMBL7906596 0.81 TSHR (0.54) TSHRALDH1A1MAPTITGA4BACE1
SCHEMBL7902731 0.81 TSHR (0.54) TSHRALDH1A1MAPTITGA4BACE1
SCHEMBL7906590 0.81 TSHR (0.54) TSHRALDH1A1MAPTITGA4BACE1
SCHEMBL1280782 0.79 SLC6A3 (0.51) SLC6A4SLC6A3
SCHEMBL9692284 0.79 PTAFR (0.57) TP53RAB9ASMN1; SMN2GAA
SCHEMBL9692292 0.79 SLC6A4 (0.49) TSHRSLC6A4SLC6A3NPC1RAB9A
SCHEMBL8503544 0.78 BACE1 (0.52) TSHRALDH1A1MAPTBACE1SLC6A4
SCHEMBL3201276 0.78 BACE1 (0.52) TSHRALDH1A1MAPTBACE1SLC6A4
SCHEMBL8856846 0.78 BACE1 (0.52) TSHRALDH1A1MAPTBACE1SLC6A4
SCHEMBL3201279 0.78 BACE1 (0.52) TSHRALDH1A1MAPTBACE1SLC6A4

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