SCHEMBL8489448

SCHEMBL8489448

CC(CC[O])C(=O)N1CCCCC1

nearest known ligand 0.45

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
DPP7 Q9UHL4 1/20 0.42
MMP1 P03956 2/20 0.41
MMP2 P08253 2/20 0.41
MMP8 P22894 2/20 0.41
EPHX2 P34913 2/20 0.41
ALDH1A1 P00352 3/20 0.39
HTT P42858 1/20 0.39
MMP3 P08254 1/20 0.37
HPGD P15428 1/20 0.37
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2C19 P33261 1/20 0.36

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
SCHEMBL8487712 0.98 DPP7 (0.40) DPP7MMP1MMP2MMP8EPHX2
SCHEMBL23241332 0.84 L3MBTL1 (0.44) DPP7MMP1MMP2MMP8EPHX2
SCHEMBL8489452 0.84 DPP7 (0.42) DPP7MMP1MMP2MMP8EPHX2
SCHEMBL8498746 0.84 L3MBTL1 (0.44) DPP7MMP1MMP2MMP8EPHX2
SCHEMBL8488628 0.83 MMP1 (0.44) DPP7MMP1MMP2MMP8EPHX2
SCHEMBL8487717 0.82 DPP7 (0.40) DPP7MMP1MMP2MMP8EPHX2
SCHEMBL13003486 0.82 L3MBTL1 (0.42) DPP7MMP1MMP2MMP8EPHX2
SCHEMBL8485611 0.81 MMP1 (0.41) DPP7MMP1MMP2MMP8EPHX2
SCHEMBL8488383 0.81 CYP3A4 (0.55) ALDH1A1HTTHPGDKMT2AL3MBTL1
SCHEMBL20445091 0.79 L3MBTL1 (0.53) EPHX2MEN1KMT2ATDP1L3MBTL1

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 4 patents. 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
EP-0802904-B1 SUBSTITUTED 2-PHENYLPYRIDINES AS HERBICIDES BASF AG (DE) 1998-09-09 EP disclosed
CN-1172477-A Substituted 2 -phenylpyridines as herbicides BASF AG (DE) 1998-02-04 CN disclosed
WO-1996021647-A1 SUBSTITUTED 2-PHENYLPYRIDINES AS HERBICIDES BASF AKTIENGESELLSCHAFT (DE) 1996-07-18 WO disclosed