SCHEMBL8488963

SCHEMBL8488963

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

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MMP1 P03956 1/20 0.46
MMP2 P08253 1/20 0.46
MMP8 P22894 1/20 0.46
HPGD P15428 1/20 0.41
ALDH1A1 P00352 4/20 0.40
HTT P42858 1/20 0.40
ROCK2 O75116 1/20 0.39
CYP3A4 P08684 1/20 0.39
GAA P10253 1/20 0.37
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
DPP4 P27487 4/20 0.36
DPP7 Q9UHL4 3/20 0.35
ATM Q13315 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
SCHEMBL8487739 0.98 MMP1 (0.49) MMP1MMP2MMP8HPGDALDH1A1
SCHEMBL1539202 0.85 ALDH1A1 (0.46) MMP1MMP2MMP8HPGDALDH1A1
SCHEMBL14602772 0.82 ALDH1A1 (0.50) MMP1MMP2MMP8HPGDALDH1A1
SCHEMBL18389800 0.82 CYP1A2 (0.48) HPGDALDH1A1ROCK2CYP3A4
SCHEMBL20070338 0.80 CHRM1 (0.44) ROCK2CYP3A4
SCHEMBL828715 0.80 SMN1; SMN2 (0.48) MMP1MMP8HPGDALDH1A1HTT
SCHEMBL5486914 0.80 SMN1; SMN2 (0.48) MMP1MMP8HPGDALDH1A1HTT
SCHEMBL824919 0.80 SMN1; SMN2 (0.48) MMP1MMP8HPGDALDH1A1HTT
SCHEMBL3560525 0.80 ROCK2 (0.40) MMP1MMP2MMP8ALDH1A1ROCK2
SCHEMBL3551998 0.80 ROCK2 (0.40) MMP1MMP2MMP8ALDH1A1ROCK2

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
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