SCHEMBL28077248

SCHEMBL28077248

CC(C)(C)OC(=O)C(C)(C(=O)OC(C)(C)C)C1CCCC1

nearest known ligand 0.45

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
DGAT1 O75907 1/20 0.45
GAA P10253 1/20 0.38
EPHX1 P07099 3/20 0.37
CHRM3 P20309 6/20 0.35
CHRM2 P08172 1/20 0.35
CHRM1 P11229 1/20 0.35
HPGD P15428 1/20 0.35
BTK Q06187 1/20 0.35
HDAC4 P56524 1/20 0.32
HDAC1 Q13547 1/20 0.32
HDAC6 Q9UBN7 1/20 0.32
PREP P48147 1/20 0.32
SSTR4 P31391 1/20 0.32
CTSS P25774 1/20 0.31
CTSK P43235 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
HSD17B10 Q99714 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
SCHEMBL28201093 0.88 DGAT1 (0.39) DGAT1GAAEPHX1CHRM3CHRM2
SCHEMBL16732111 0.82 EPHX1 (0.38) DGAT1EPHX1CHRM3CHRM2CHRM1
SCHEMBL20635363 0.81 DGAT1 (0.43) DGAT1GAAEPHX1CHRM3CHRM2
SCHEMBL16732092 0.80 EPHX1 (0.41) DGAT1GAAEPHX1CHRM3CHRM2
SCHEMBL6597535 0.79 DGAT1 (0.42) DGAT1GAAEPHX1CHRM3CHRM2
SCHEMBL20565137 0.79 NFKB1 (0.38) DGAT1
SCHEMBL6512299 0.78 DGAT1 (0.41) DGAT1GAAEPHX1CHRM3CHRM2
SCHEMBL27950403 0.78 GAA (0.41) DGAT1GAAEPHX1CHRM3CHRM2
SCHEMBL28077274 0.76 DGAT1 (0.39) DGAT1GAAEPHX1CHRM3CHRM2
SCHEMBL10028034 0.75 ALDH1A1 (0.39) CHRM3CHRM2CHRM1

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
CN-105837714-A METHOD FOR PRODUCING SOLID CATALYST COMPONENT FOR USE IN POLYMERIZATION OF OLEFIN, CATALYST FOR USE IN POLYMERIZATION OF OLEFIN, AND METHOD FOR PRODUCING OLEFIN POLYMER 东邦钛株式会社 2016-08-10 CN disclosed