SCHEMBL13383161

SCHEMBL13383161

CC(=O)OC1C2CCC(C)(C2)C1O

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 2/20 0.39
ACHE P22303 1/20 0.33
CYP2D6 P10635 6/20 0.32
MEN1 O00255 4/20 0.32
KMT2A Q03164 4/20 0.32
CHRM2 P08172 3/20 0.32
PTPN1 P18031 1/20 0.32
CHRM1 P11229 1/20 0.32
CYP2C9 P11712 2/20 0.31
CYP2C19 P33261 2/20 0.31
TDP1 Q9NUW8 1/20 0.31
ALDH1A1 P00352 2/20 0.31
APOBEC3A P31941 1/20 0.31
CTDSP1 Q9GZU7 1/20 0.31
APOBEC3G Q9HC16 1/20 0.31
SMN1; SMN2 Q16637 3/20 0.31
LMNA P02545 1/20 0.31
MAPK1 P28482 1/20 0.31
HIF1A Q16665 1/20 0.31
SLC2A1 P11166 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
SCHEMBL13293841 0.74
SCHEMBL7646195 0.69 ATM (0.30)
SCHEMBL6563899 0.67
SCHEMBL16202199 0.67 APOBEC3A (0.31) CYP3A4CYP2D6MEN1KMT2AALDH1A1
SCHEMBL21642935 0.66 ALDH1A1 (0.49) CYP2D6MEN1KMT2ACHRM2CHRM1
SCHEMBL4366002 0.66 ALDH1A1 (0.49) CYP2D6MEN1KMT2ACHRM2CHRM1
SCHEMBL901146 0.64 CYP3A4 (0.55) CYP3A4ACHECYP2D6CYP2C9CYP2C19
SCHEMBL891396 0.64 CYP3A4 (0.55) CYP3A4ACHECYP2D6CYP2C9CYP2C19
SCHEMBL184488 0.64 CYP3A4 (0.55) CYP3A4ACHECYP2D6CYP2C9CYP2C19
SCHEMBL14867336 0.64 CYP3A4 (0.55) CYP3A4ACHECYP2D6CYP2C9CYP2C19

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
EP-2177506-A1 POSITIVE RESIST COMPOSITION, PATTERN FORMING METHOD USING THE COMPOSITION, AND COMPOUND USED IN THE COMPOSITION Fujifilm Corporation (JP) 2010-04-21 EP disclosed