SCHEMBL879540

SCHEMBL879540

CCC(C)(CC)OC(=O)N1CCCCC1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 1/20 0.50
SMN1; SMN2 Q16637 2/20 0.42
MAPT P10636 2/20 0.42
NPC1 O15118 1/20 0.42
HTT P42858 1/20 0.42
RAB9A P51151 1/20 0.42
USP2 O75604 1/20 0.42
EPHX1 P07099 1/20 0.41
ALDH1A1 P00352 4/20 0.40
POLB P06746 1/20 0.40
MEN1 O00255 4/20 0.39
KMT2A Q03164 4/20 0.39
TDP1 Q9NUW8 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2C19 P33261 1/20 0.38
SRD5A1 P18405 2/20 0.37
ABL1 P00519 1/20 0.37
RIN1 Q13671 1/20 0.37

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
SCHEMBL16263321 0.98 HPGD (0.47) HPGDSMN1; SMN2MAPTNPC1HTT
SCHEMBL28752289 0.91 HPGD (0.46) HPGDSMN1; SMN2MAPTNPC1HTT
SCHEMBL879545 0.85 HPGD (0.50) HPGDSMN1; SMN2MAPTNPC1HTT
SCHEMBL8736324 0.82 HPGD (0.47) HPGDSMN1; SMN2MAPTNPC1HTT
SCHEMBL1848025 0.82 HPGD (0.47) HPGDSMN1; SMN2MAPTNPC1HTT
SCHEMBL15908873 0.81 HPGD (0.42) HPGDSMN1; SMN2MAPTNPC1HTT
Alcohol SCHEMBL6699457 0.81 HPGD (0.63) HPGDSMN1; SMN2MAPTUSP2EPHX1
SCHEMBL24996703 0.80 HPGD (0.43) HPGDSMN1; SMN2MAPTNPC1HTT
SCHEMBL12551258 0.80 SMN1; SMN2 (0.39) HPGDSMN1; SMN2HTTRAB9AUSP2
SCHEMBL8736286 0.80 HPGD (0.45) HPGDSMN1; SMN2MAPTNPC1HTT

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-2434343-A1 Resist composition, resist film therefrom and method of forming pattern therewith Fujifilm Corporation (JP) 2012-03-28 EP disclosed