SCHEMBL8488383

SCHEMBL8488383

CC(CC[O])C(=O)N1CCOCC1

nearest known ligand 0.55

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 1/20 0.55
CYP2C19 P33261 1/20 0.55
GAA P10253 2/20 0.54
HTT P42858 1/20 0.46
SMN1; SMN2 Q16637 3/20 0.44
PKM P14618 1/20 0.44
TSHR P16473 2/20 0.44
ALDH1A1 P00352 4/20 0.43
KMT2A Q03164 1/20 0.42
POLB P06746 1/20 0.41
MAPT P10636 2/20 0.41
L3MBTL1 Q9Y468 1/20 0.40
CA12 O43570 1/20 0.39
CA1 P00915 1/20 0.39
CA9 Q16790 1/20 0.39
HPGD P15428 1/20 0.39
ALOX15 P16050 1/20 0.39
HSD17B10 Q99714 1/20 0.39

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
SCHEMBL9028053 0.89 CYP3A4 (0.53) CYP3A4CYP2C19GAAHTTSMN1; SMN2
SCHEMBL8488385 0.85 CYP3A4 (0.55) CYP3A4CYP2C19GAAHTTSMN1; SMN2
SCHEMBL20733007 0.85 CYP3A4 (0.59) CYP3A4CYP2C19GAAHTTSMN1; SMN2
SCHEMBL8488177 0.85 CYP3A4 (0.58) CYP3A4CYP2C19GAAHTTSMN1; SMN2
SCHEMBL19588473 0.83 CYP3A4 (0.57) CYP3A4CYP2C19GAAHTTSMN1; SMN2
SCHEMBL8487712 0.82 DPP7 (0.40) CYP3A4CYP2C19HTTALDH1A1HPGD
SCHEMBL19792871 0.82 CYP3A4 (0.56) CYP3A4CYP2C19GAAHTTSMN1; SMN2
SCHEMBL8488180 0.81 CYP3A4 (0.58) CYP3A4CYP2C19GAAHTTSMN1; SMN2
SCHEMBL13259745 0.81 CYP3A4 (0.63) CYP3A4CYP2C19GAAHTTSMN1; SMN2
SCHEMBL8489448 0.81 DPP7 (0.42) CYP3A4CYP2C19HTTALDH1A1KMT2A

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