SCHEMBL28315212

SCHEMBL28315212

C=CC(=O)OC(C)(C)C.CC1CC(=O)CCN1C(=O)OC(C)(C)C

nearest known ligand 0.38

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SETD7 Q8WTS6 1/20 0.35
F13A1 P00488 4/20 0.35
TGM2 P21980 4/20 0.35
TGM1 P22735 4/20 0.35
MAP4K4 O95819 1/20 0.35
GPR119 Q8TDV5 3/20 0.32
ELANE P08246 2/20 0.32
TGM3 Q08188 1/20 0.32
DDB1 Q16531 1/20 0.32
CRBN Q96SW2 1/20 0.32
HSD17B10 Q99714 1/20 0.32
KDM4E B2RXH2 1/20 0.32
MAPT P10636 1/20 0.32
THRB P10828 1/20 0.32
NR1H2 P55055 1/20 0.32

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
SCHEMBL28332438 0.90 ELANE (0.32) ELANE
Ethylene SCHEMBL5865026 0.89 SETD7 (0.39) SETD7MAP4K4GPR119DDB1CRBN
SCHEMBL1197830 0.89 SETD7 (0.40) SETD7MAP4K4GPR119DDB1CRBN
SCHEMBL432224 0.89 SETD7 (0.40) SETD7MAP4K4GPR119DDB1CRBN
SCHEMBL1197535 0.89 SETD7 (0.40) SETD7MAP4K4GPR119DDB1CRBN
SCHEMBL18198392 0.80 HSD17B10 (0.41) SETD7HSD17B10
SCHEMBL31080429 0.80 HSD17B10 (0.41) SETD7HSD17B10
SCHEMBL31080561 0.80 HSD17B10 (0.41) SETD7HSD17B10
SCHEMBL4152544 0.78 CHRM2 (0.36) F13A1TGM2TGM1ELANEDDB1
SCHEMBL18198355 0.77 SETD7 (0.39) SETD7GPR119DDB1CRBNHSD17B10

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-110177551-A HETEROCYCLIC MODULATORS OF LIPID SYNTHESIS 3-V生物科学股份有限公司 2019-08-27 CN disclosed