SCHEMBL28646355

SCHEMBL28646355

CCOC(=O)C(C)=CCCN(CC)CC

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 3/20 0.46
CYP2C19 P33261 1/20 0.46
APOBEC3A P31941 1/20 0.43
APOBEC3G Q9HC16 1/20 0.43
GLO1 Q04760 1/20 0.40
ALDH1A1 P00352 4/20 0.36
TRPA1 O75762 1/20 0.36
NPSR1 Q6W5P4 2/20 0.36
LMNA P02545 3/20 0.35
HSD17B10 Q99714 1/20 0.35
CYP2C9 P11712 1/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
MAPT P10636 2/20 0.33
CYP1A2 P05177 1/20 0.33
FAAH O00519 2/20 0.33
SCN1A P35498 1/20 0.33
SCN2A Q99250 1/20 0.33
SCN3A Q9NY46 1/20 0.33
MEN1 O00255 1/20 0.33
S1PR4 O95977 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
SCHEMBL2515654 0.86 CYP2D6 (0.35) CYP2D6CYP2C19APOBEC3AAPOBEC3GLMNA
SCHEMBL8445211 0.84 PAOX (0.34) CYP2D6CYP2C19APOBEC3AAPOBEC3GALDH1A1
SCHEMBL808675 0.84 CYP2D6 (0.47) CYP2D6CYP2C19GLO1ALDH1A1TRPA1
SCHEMBL28297535 0.82 CHRM1 (0.36) CYP2D6CYP2C19APOBEC3AAPOBEC3GALDH1A1
SCHEMBL4386622 0.82 CHRM2 (0.32) CYP2D6CYP2C19APOBEC3AAPOBEC3GALDH1A1
SCHEMBL25412762 0.79 LMNA (0.39) CYP2D6CYP2C19ALDH1A1NPSR1LMNA
SCHEMBL27609883 0.79 CYP2D6 (0.47) CYP2D6CYP2C19GLO1ALDH1A1TRPA1
SCHEMBL1759140 0.79 CYP2D6 (0.51) CYP2D6CYP2C19GLO1ALDH1A1TRPA1
SCHEMBL14616293 0.79 CYP2D6 (0.51) CYP2D6CYP2C19GLO1ALDH1A1TRPA1
SCHEMBL7535763 0.79 CYP2D6 (0.51) CYP2D6CYP2C19GLO1ALDH1A1TRPA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113549226-A Photonic crystal hydrogel for visual bacteria detection and preparation and application thereof 华中科技大学 2021-10-26 CN claimed
CN-113549226-B Photonic crystal hydrogel for visual bacterial detection and preparation and application thereof 华中科技大学 2022-11-01 CN disclosed
CN-113549226-A Photonic crystal hydrogel for visual bacteria detection and preparation and application thereof 华中科技大学 2021-10-26 CN disclosed