SCHEMBL5963972

SCHEMBL5963972

CCOC(C)OC1C(=O)N(C(=O)OC(C)(C)C)C1C1CCCCC1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 1/20 0.34
HPGD P15428 1/20 0.33
KLK7 P49862 1/20 0.33
KLK5 Q9Y337 1/20 0.33
ALDH1A1 P00352 3/20 0.32
MAPT P10636 2/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
NR1H2 P55055 2/20 0.32
GPR119 Q8TDV5 3/20 0.31
CHRM2 P08172 1/20 0.31
CHRM1 P11229 1/20 0.31
MMP3 P08254 1/20 0.31
ADAM17 P78536 1/20 0.31
NR1H3 Q13133 1/20 0.31
DPP4 P27487 1/20 0.31
ABL1 P00519 1/20 0.31
RIN1 Q13671 1/20 0.31
NPC1 O15118 1/20 0.31
MAPK1 P28482 1/20 0.31

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
SCHEMBL5963965 1.00 EPHX1 (0.34) EPHX1HPGDKLK7KLK5ALDH1A1
SCHEMBL5963853 0.83 BACE1 (0.31) EPHX1HPGDKLK7KLK5ALDH1A1
SCHEMBL6601054 0.78 HPGD (0.38) EPHX1HPGDALDH1A1MAPTMEN1
SCHEMBL6601061 0.78 HPGD (0.38) EPHX1HPGDALDH1A1MAPTMEN1
SCHEMBL6601058 0.78 HPGD (0.38) EPHX1HPGDALDH1A1MAPTMEN1
SCHEMBL5963831 0.78 KLK7 (0.33) KLK7KLK5PLA2G10PLA2G5ELANE
SCHEMBL6599274 0.77 TPSAB1 (0.36) EPHX1HPGDALDH1A1MAPTMEN1
SCHEMBL6599271 0.77 TPSAB1 (0.36) EPHX1HPGDALDH1A1MAPTMEN1
SCHEMBL6599280 0.77 TPSAB1 (0.36) EPHX1HPGDALDH1A1MAPTMEN1
SCHEMBL6600507 0.74 TPSAB1 (0.36) HPGDALDH1A1MAPTMEN1KMT2A

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0681568-B1 PROCESS FOR PREPARATION OF TAXANE DERIVATIVES AND BETA-LACTAM INTERMEDIATES THEREFOR UNIV NEW YORK STATE RES FOUND (US) 2006-07-26 EP disclosed