SCHEMBL23934301

SCHEMBL23934301

CCOC(=O)CC1CCCC(C)(C)CC1

nearest known ligand 0.38

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.38
L3MBTL1 Q9Y468 4/20 0.36
ALDH1A1 P00352 4/20 0.36
GAA P10253 2/20 0.35
MGAM O43451 1/20 0.35
SI P14410 1/20 0.35
MGAM2 Q2M2H8 1/20 0.35
KMT2A Q03164 3/20 0.35
CYP2D6 P10635 1/20 0.35
POLB P06746 1/20 0.35
UGT2B7 P16662 2/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
MEN1 O00255 1/20 0.34
EPHX2 P34913 1/20 0.34
KDM4E B2RXH2 1/20 0.34

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
SCHEMBL6269261 0.93 MGAM (0.40) TDP1L3MBTL1ALDH1A1GAAMGAM
SCHEMBL23824765 0.87 ALDH1A1 (0.36) TDP1L3MBTL1ALDH1A1GAAMGAM
SCHEMBL23824768 0.86 ALDH1A1 (0.36) TDP1L3MBTL1ALDH1A1GAAMGAM
SCHEMBL1439129 0.82 TDP1 (0.48) TDP1L3MBTL1ALDH1A1GAAMGAM
SCHEMBL1881523 0.82 ALDH1A1 (0.46) TDP1L3MBTL1ALDH1A1GAAMGAM
SCHEMBL25311355 0.81 TDP1 (0.50) TDP1L3MBTL1ALDH1A1GAAMGAM
SCHEMBL9134377 0.81 TDP1 (0.50) TDP1L3MBTL1ALDH1A1GAAMGAM
SCHEMBL18797 0.81 TDP1 (0.50) TDP1L3MBTL1ALDH1A1GAAMGAM
SCHEMBL2779505 0.81 TDP1 (0.50) TDP1L3MBTL1ALDH1A1GAAMGAM
SCHEMBL26914635 0.81 TDP1 (0.50) TDP1L3MBTL1ALDH1A1GAAMGAM

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-3512843-B1 PLANT GROWTH REGULATOR COMPOUNDS SYNGENTA PARTICIPATIONS AG (CH) 2021-10-20 EP disclosed