SCHEMBL9692292

SCHEMBL9692292

COC(=O)C1OC1c1ccc2ccccc2c1

nearest known ligand 0.49

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 7/20 0.49
SLC6A3 Q01959 7/20 0.49
TSHR P16473 1/20 0.45
HSP90AA1 P07900 1/20 0.45
PAX8 Q06710 1/20 0.45
NPC1 O15118 1/20 0.41
CASP3 P42574 1/20 0.41
RAB9A P51151 1/20 0.41
SENP7 Q9BQF6 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
SCHEMBL15446338 0.88 BACE1 (0.46) TSHR
SCHEMBL9026789 0.84 TSHR (0.68) TSHRNPC1RAB9A
SCHEMBL30862345 0.84 TSHR (0.68) TSHRNPC1RAB9A
SCHEMBL8856846 0.80 BACE1 (0.52) SLC6A4SLC6A3TSHRNPC1RAB9A
SCHEMBL8573735 0.80 BACE1 (0.52) SLC6A4SLC6A3TSHRNPC1RAB9A
SCHEMBL3201276 0.80 BACE1 (0.52) SLC6A4SLC6A3TSHRNPC1RAB9A
SCHEMBL8503544 0.80 BACE1 (0.52) SLC6A4SLC6A3TSHRNPC1RAB9A
SCHEMBL7141149 0.80 BACE1 (0.52) SLC6A4SLC6A3TSHRNPC1RAB9A
SCHEMBL3201279 0.80 BACE1 (0.52) SLC6A4SLC6A3TSHRNPC1RAB9A
SCHEMBL1692429 0.80 TSHR (0.67) SLC6A4SLC6A3TSHR

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