SCHEMBL8329346

SCHEMBL8329346

CC(=O)Oc1ccc(Oc2ccc(C(F)(F)F)cc2)cc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 1/20 0.54
LMNA P02545 2/20 0.52
BACE1 P56817 2/20 0.49
HSD17B10 Q99714 2/20 0.49
HPGD P15428 2/20 0.49
KDM4E B2RXH2 1/20 0.49
USP2 O75604 1/20 0.49
ALDH1A1 P00352 1/20 0.49
CYP2C19 P33261 1/20 0.49
ELANE P08246 2/20 0.48
CYP1A1 P04798 1/20 0.48
CYP1B1 Q16678 1/20 0.48
MAPT P10636 2/20 0.47
POLB P06746 1/20 0.47
PKM P14618 1/20 0.47
MAOB P27338 1/20 0.46
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
MAPK14 Q16539 1/20 0.46
CYP11B1 P15538 1/20 0.44

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
SCHEMBL839809 0.94 KIF11 (0.59) KIF11LMNABACE1HSD17B10HPGD
SCHEMBL4829620 0.89 KIF11 (0.69) KIF11LMNABACE1HSD17B10HPGD
SCHEMBL21991243 0.87 KIF11 (0.56) KIF11BACE1HSD17B10HPGDKDM4E
SCHEMBL3420307 0.86 KIF11 (0.51) KIF11LMNABACE1HPGDALDH1A1
SCHEMBL23059793 0.84 KIF11 (0.50) KIF11LMNABACE1HSD17B10HPGD
SCHEMBL11059672 0.84 PRSS1 (0.62) KIF11LMNAHSD17B10CYP2C19ELANE
SCHEMBL5027571 0.84 LMNA (0.70) LMNAHSD17B10HPGDKDM4EALDH1A1
SCHEMBL9760958 0.84 LMNA (0.70) LMNAHSD17B10HPGDKDM4EALDH1A1
SCHEMBL21991789 0.82 KIF11 (0.51) KIF11LMNAKDM4EALDH1A1ELANE
SCHEMBL3368661 0.81 MAPT (0.70) LMNABACE1HPGDKDM4ECYP1A1

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0556381-B1 N-(4-PYRIDYL OR 4-QUINOLINYL) ARYLACETAMIDE PESTICIDES DOW AGROSCIENCES LLC (US) 1999-04-28 EP disclosed
EP-0555469-A4 4-(ARALKOXY OR ARALKYLAMINO)PYRIDINE PESTICIDES----------------- DOWELANCO (US) 1995-06-21 EP disclosed
EP-0556381-A4 DOWELANCO (US) 1995-06-21 EP disclosed
US-5399564-A N-(4-pyridyl or 4-quinolinyl) arylacetamide and 4-(aralkoxy or aralkylamino) pyridine pesticides DOWELANCO (US) 1995-03-21 US disclosed
EP-0556381-A1 N-(4-PYRIDYL OR 4-QUINOLINYL) ARYLACETAMIDE PESTICIDES DOWELANCO (US) 1993-08-25 EP disclosed
EP-0555469-A1 4-(ARALKOXY OR ARALKYLAMINO)PYRIDINE PESTICIDES----------------- DOWELANCO (US) 1993-08-18 EP disclosed
WO-1993004580-A1 N-(4-PYRIDYL OR 4-QUINOLINYL) ARYLACETAMIDE PESTICIDES DOWELANCO (US) 1993-03-18 WO disclosed
WO-1993005050-A1 4-(ARALKOXY OR ARALKYLAMINO)PYRIDINE PESTICIDES_________________ DOWELANCO (US) 1993-03-18 WO disclosed