SCHEMBL28696294

SCHEMBL28696294

CCOC(=O)C(C)CCC(C)(C)CC(C)C

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP8 P22894 1/20 0.44
CYP3A4 P08684 1/20 0.33
CYP2C19 P33261 1/20 0.33
GAA P10253 2/20 0.33
CPB2 Q96IY4 1/20 0.33
ALDH1A1 P00352 2/20 0.32
CYP4F2 P78329 1/20 0.32
CYP4A11 Q02928 1/20 0.32
LMNA P02545 1/20 0.31
HSD17B10 Q99714 1/20 0.31
MAPT P10636 1/20 0.31
ALOX15 P16050 1/20 0.30
MGAM O43451 1/20 0.30
SI P14410 1/20 0.30
MGAM2 Q2M2H8 1/20 0.30
SOAT1 P35610 1/20 0.30
MEN1 O00255 1/20 0.30
NPC1 O15118 1/20 0.30
KMT2A Q03164 1/20 0.30
L3MBTL1 Q9Y468 1/20 0.30

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
SCHEMBL28496019 0.76 CYP3A4 (0.34) MMP8CYP3A4CYP2C19GAACPB2
SCHEMBL14616914 0.76 ALDH1A1 (0.48) CYP3A4CYP2C19GAACPB2ALDH1A1
SCHEMBL7843927 0.74 ALDH1A1 (0.42) MMP8CYP3A4CYP2C19GAAALDH1A1
SCHEMBL16903606 0.74 CPB2 (0.38) MMP8CYP3A4CYP2C19GAACPB2
SCHEMBL22892440 0.73 CHRM2 (0.43) MMP8GAAMAPTMEN1NPC1
SCHEMBL28291065 0.72 MMP8 (0.43) MMP8CYP3A4CYP2C19GAACPB2
SCHEMBL2853710 0.72 MMP8 (0.36) MMP8CYP3A4GAACPB2ALDH1A1
SCHEMBL13483255 0.72 SMN1; SMN2 (0.45) CYP3A4CYP2C19GAAALDH1A1LMNA
SCHEMBL8245481 0.72 SMN1; SMN2 (0.45) CYP3A4CYP2C19GAAALDH1A1LMNA
SCHEMBL28182020 0.72 ALDH1A1 (0.43) CYP3A4CYP2C19GAACPB2ALDH1A1

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
CN-113412327-A Consumer product compositions with perfume encapsulates 宝洁公司 2021-09-17 CN claimed
CN-113412327-A Consumer product compositions with perfume encapsulates 宝洁公司 2021-09-17 CN disclosed