SCHEMBL888629

SCHEMBL888629

CCOCC(CC(C)C(C)C)C(=O)OCC

nearest known ligand 0.38

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.34
NPC1 O15118 1/20 0.34
KMT2A Q03164 1/20 0.34
ALDH1A1 P00352 3/20 0.33
CPB2 Q96IY4 1/20 0.33
LMNA P02545 1/20 0.32
HSD17B10 Q99714 1/20 0.32
TSHR P16473 1/20 0.31
GAA P10253 2/20 0.31
ALOX15 P16050 1/20 0.31
MGAM O43451 1/20 0.31
SI P14410 1/20 0.31
MGAM2 Q2M2H8 1/20 0.31
SOAT1 P35610 1/20 0.31
CYP3A4 P08684 1/20 0.31
CYP2C19 P33261 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
SCHEMBL888390 0.87 CA1 (0.38) KMT2AALDH1A1HSD17B10TSHRGAA
SCHEMBL888341 0.85 MEN1 (0.34) MEN1NPC1KMT2AALDH1A1CPB2
SCHEMBL819892 0.85 HSD17B10 (0.38) MEN1NPC1KMT2AALDH1A1CPB2
SCHEMBL888352 0.82 CPB2 (0.38) MEN1NPC1KMT2AALDH1A1CPB2
SCHEMBL819989 0.81
SCHEMBL18065074 0.78 ALDH1A1 (0.40) MEN1NPC1KMT2AALDH1A1CPB2
SCHEMBL888537 0.76 CA2 (0.39) CPB2LMNATSHRCYP3A4
SCHEMBL888527 0.76 L3MBTL1 (0.38) MEN1NPC1KMT2AALDH1A1CPB2
SCHEMBL28237103 0.74 ALDH1A1 (0.40) MEN1KMT2AALDH1A1LMNAHSD17B10
SCHEMBL819866 0.72 ALDH1A1 (0.39) MEN1NPC1KMT2AALDH1A1LMNA

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
US-20110269928-A1 PROCESS FOR PRODUCING SOLID CATALYST COMPONENT FOR OLEFIN POLYMERIZATION SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2011-11-03 US disclosed