SCHEMBL9692780

SCHEMBL9692780

COC(=O)C=C1CCCC2OC12

nearest known ligand 0.31

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 3/20 0.31
SLC6A4 P31645 3/20 0.31
SLC6A3 Q01959 3/20 0.31
THRB P10828 1/20 0.30
PPM1B O75688 1/20 0.30
PTPN1 P18031 1/20 0.30
PPP1CC P36873 1/20 0.30
MEN1 O00255 1/20 0.30
ALDH1A1 P00352 1/20 0.30
LMNA P02545 1/20 0.30
MAPT P10636 1/20 0.30
HPGD P15428 1/20 0.30
KMT2A Q03164 1/20 0.30

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
SCHEMBL9692068 0.94 ALDH1A1 (0.31) SLC6A2SLC6A4SLC6A3MEN1ALDH1A1
SCHEMBL9692707 0.90 SLC6A2 (0.32) SLC6A2SLC6A4SLC6A3PPM1BPTPN1
SCHEMBL7572218 0.71 DPP4 (0.35) SLC6A2SLC6A4SLC6A3THRBALDH1A1
SCHEMBL3453647 0.66 SLC6A3 (0.42) SLC6A2SLC6A4SLC6A3
SCHEMBL7664656 0.65 KDM4E (0.33) ALDH1A1LMNAMAPT
SCHEMBL9845917 0.64 MMP1 (0.35)
SCHEMBL9845916 0.64 MMP1 (0.35)
SCHEMBL1082447 0.64
SCHEMBL20400492 0.63 SLC6A2 (0.32) SLC6A2SLC6A4SLC6A3LMNA
SCHEMBL873013 0.63 TSHR (0.42) SLC6A3MEN1ALDH1A1LMNAMAPT

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