SCHEMBL8487517

SCHEMBL8487517

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

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.46
GAA P10253 1/20 0.43
L3MBTL1 Q9Y468 2/20 0.42
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
DPP7 Q9UHL4 2/20 0.41
MMP1 P03956 1/20 0.40
MMP2 P08253 1/20 0.40
MMP8 P22894 1/20 0.40
EPHX2 P34913 2/20 0.39
HTT P42858 1/20 0.38
CYP2C19 P33261 1/20 0.38
ATM Q13315 1/20 0.37
DPP4 P27487 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
SCHEMBL8484966 0.98 ALDH1A1 (0.42) ALDH1A1GAAL3MBTL1MEN1KMT2A
SCHEMBL8489070 0.83 L3MBTL1 (0.44) ALDH1A1GAAL3MBTL1MEN1KMT2A
SCHEMBL8487634 0.81 L3MBTL1 (0.42) ALDH1A1GAAL3MBTL1MEN1KMT2A
SCHEMBL15364713 0.81 L3MBTL1 (0.41) ALDH1A1L3MBTL1MEN1KMT2ATDP1
SCHEMBL6945729 0.79 DPP7 (0.47) GAAKMT2ADPP7EPHX2CYP2C19
SCHEMBL8483742 0.79 CYP3A4 (0.50) ALDH1A1GAAL3MBTL1MEN1KMT2A
SCHEMBL16435173 0.78 EPHX2 (0.58) ALDH1A1GAAL3MBTL1MEN1KMT2A
SCHEMBL16435186 0.78 EPHX2 (0.58) ALDH1A1GAAL3MBTL1MEN1KMT2A
SCHEMBL8988259 0.78 EPHX2 (0.58) ALDH1A1GAAL3MBTL1MEN1KMT2A
SCHEMBL4560650 0.78 MMP1 (0.44) ALDH1A1L3MBTL1MEN1KMT2ATDP1

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 5 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
EP-0802904-A1 SUBSTITUTED 2-PHENYLPYRIDINES AS HERBICIDES BASF AKTIENGESELLSCHAFT (DE) 1997-10-29 EP disclosed
WO-1996021647-A1 SUBSTITUTED 2-PHENYLPYRIDINES AS HERBICIDES BASF AKTIENGESELLSCHAFT (DE) 1996-07-18 WO disclosed