SCHEMBL13108406

SCHEMBL13108406

CCC(C)C(=O)OCC[N+]1(C)CCOCC1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
APOBEC3A P31941 4/20 0.48
APOBEC3G Q9HC16 4/20 0.48
CDC25A P30304 1/20 0.42
CTDSP1 Q9GZU7 3/20 0.40
ALDH1A1 P00352 2/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
PABPC1 P11940 3/20 0.38
GAA P10253 2/20 0.38
L3MBTL1 Q9Y468 1/20 0.37
USP2 O75604 1/20 0.37
CYP3A4 P08684 1/20 0.36
CYP2C19 P33261 1/20 0.36
CYP2D6 P10635 1/20 0.36
TERT O14746 4/20 0.35
CHRNB2 P17787 1/20 0.35
CHRNB4 P30926 1/20 0.35
CHRNA3 P32297 1/20 0.35
CHRNA7 P36544 1/20 0.35
CHRNA4 P43681 1/20 0.35
SLC18A3 Q16572 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
SCHEMBL3367030 0.78 APOBEC3A (0.54) APOBEC3AAPOBEC3GCDC25ACTDSP1ALDH1A1
SCHEMBL13964661 0.74 APOBEC3A (0.47) APOBEC3AAPOBEC3GCDC25ACTDSP1ALDH1A1
SCHEMBL21694121 0.73 APOBEC3A (0.49) APOBEC3AAPOBEC3GCDC25ACTDSP1ALDH1A1
Hydrochloric Acid SCHEMBL4326082 0.73 APOBEC3A (0.49) APOBEC3AAPOBEC3GCDC25ACTDSP1ALDH1A1
SCHEMBL21694128 0.73 APOBEC3A (0.49) APOBEC3AAPOBEC3GCDC25ACTDSP1ALDH1A1
SCHEMBL18912606 0.72 ALDH1A1 (0.42) APOBEC3AAPOBEC3GCDC25ACTDSP1ALDH1A1
SCHEMBL4898398 0.71 CDC25A (0.43) APOBEC3AAPOBEC3GCDC25ACTDSP1ALDH1A1
SCHEMBL13667079 0.71 ALDH1A1 (0.37) ALDH1A1GAA
SCHEMBL11583345 0.71 APOBEC3A (0.47) APOBEC3AAPOBEC3GCDC25ACTDSP1ALDH1A1
SCHEMBL795218 0.70 ALDH1A1 (0.52) ALDH1A1SMN1; SMN2GAAL3MBTL1CYP3A4

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
US-7811742-B2 Lithographic printing plate precursor FUJIFILM CORPORATION (JP) 2010-10-12 US disclosed
US-20080268372-A1 LITHOGRAPHIC PRINTING PLATE PRECURSOR FUJIFILM CORPORATION (JP) 2008-10-30 US disclosed