SCHEMBL8487332

SCHEMBL8487332

CC(C)(O)CC(=O)N1CCCC1

nearest known ligand 0.52

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.48
L3MBTL1 Q9Y468 2/20 0.45
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
TDP1 Q9NUW8 1/20 0.44
ALDH1A1 P00352 3/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
CYP3A4 P08684 2/20 0.42
CYP1A2 P05177 1/20 0.42
CYP2C19 P33261 1/20 0.42
GAA P10253 1/20 0.40
DPP4 P27487 1/20 0.40
HTT P42858 1/20 0.39
CYP2C9 P11712 1/20 0.39
NAMPT P43490 1/20 0.39
BPTF Q12830 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
SCHEMBL8488818 0.98 MEN1 (0.47) ATML3MBTL1MEN1KMT2ATDP1
SCHEMBL803099 0.84 MEN1 (0.52) ATML3MBTL1MEN1KMT2ATDP1
SCHEMBL18436979 0.83 HTR1A (0.47) KMT2ATDP1ALDH1A1SMN1; SMN2CYP3A4
SCHEMBL23080297 0.82 MEN1 (0.55) ATML3MBTL1MEN1KMT2ATDP1
SCHEMBL8487327 0.82 ATM (0.48) ATML3MBTL1MEN1KMT2ATDP1
SCHEMBL20121992 0.82 MEN1 (0.55) ATML3MBTL1MEN1KMT2ATDP1
SCHEMBL9944480 0.82 MEN1 (0.55) ATML3MBTL1MEN1KMT2ATDP1
SCHEMBL20121989 0.82 MEN1 (0.55) ATML3MBTL1MEN1KMT2ATDP1
SCHEMBL3549975 0.81 SMO (0.37) ATMMEN1KMT2ATDP1ALDH1A1
SCHEMBL8488650 0.81 L3MBTL1 (0.52) L3MBTL1ALDH1A1SMN1; SMN2GAAHTT

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
US-5958837-A 2-(PHENYLMETHOXY OR CARBONYLOXY-(1,4-PHENYLENE)-),3-HALO,5-HALOALKYLPYRIDINES; HERBICIDES EFFECTING DESICCATION AND DEFOLIATION OF PLANTS; GOOD ACTIVITY AND BETTER TAILORED CONTROL OF WEEDS BASF AKTIENGESELLSCHAFT (DE) 1999-09-28 US disclosed