SCHEMBL7781785

SCHEMBL7781785

CCOC(=O)CC(OC)C(C)(C)C

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.44
ALOX15 P16050 3/20 0.44
CYP3A4 P08684 2/20 0.44
HSD17B10 Q99714 2/20 0.44
CHRM1 P11229 1/20 0.44
ADORA1 P30542 1/20 0.44
GAA P10253 2/20 0.43
MGAM O43451 1/20 0.43
SI P14410 1/20 0.43
MGAM2 Q2M2H8 1/20 0.43
TSHR P16473 2/20 0.41
TDP1 Q9NUW8 1/20 0.41
TRPA1 O75762 1/20 0.40
CYP1A2 P05177 2/20 0.35
LMNA P02545 1/20 0.34
HTT P42858 2/20 0.33
ELANE P08246 1/20 0.33
CYP2D6 P10635 1/20 0.33
KDM4E B2RXH2 1/20 0.33
SOAT1 P35610 1/20 0.33

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
SCHEMBL3465058 0.86 GAA (0.44) ALDH1A1ALOX15CYP3A4HSD17B10CHRM1
SCHEMBL3822835 0.84 GAA (0.43) ALDH1A1ALOX15CYP3A4HSD17B10CHRM1
SCHEMBL1130334 0.82 ALDH1A1 (0.42) ALDH1A1ALOX15CYP3A4HSD17B10CHRM1
SCHEMBL27017174 0.77 GAA (0.48) ALDH1A1ALOX15CYP3A4HSD17B10CHRM1
SCHEMBL235575 0.77 GAA (0.48) ALDH1A1ALOX15CYP3A4HSD17B10CHRM1
SCHEMBL13602465 0.75 GAA (0.46) ALDH1A1ALOX15CYP3A4HSD17B10CHRM1
SCHEMBL18854349 0.75 GAA (0.46) ALDH1A1ALOX15CYP3A4HSD17B10CHRM1
SCHEMBL14871883 0.74 GAA (0.50) ALDH1A1ALOX15CYP3A4HSD17B10CHRM1
SCHEMBL1873215 0.74 GAA (0.50) ALDH1A1ALOX15CYP3A4HSD17B10CHRM1
SCHEMBL7783980 0.74 PGD (0.37) ALOX15CHRM1TSHRTDP1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1141044-A1 SOLID CATALYST COMPONENT FOR OLEFIN POLYMERIZATION, CATALYST FOR OLEFIN POLYMERIZATION AND PROCESS FOR PRODUCING OLEFIN POLYMER Basell Technology Company B.V. (NL) 2001-10-10 EP disclosed
WO-2001036496-A1 SOLID CATALYST COMPONENT FOR OLEFIN POLYMERIZATION, CATALYST FOR OLEFIN POLYMERIZATION AND PROCESS FOR PRODUCING OLEFIN POLYMER BASELL TECHNOLOGY COMPANY B.V. (NL) 2001-05-25 WO disclosed