SCHEMBL8552689

SCHEMBL8552689

CCSc1ccccc1C(=O)NC(C)(C)C

nearest known ligand 0.53

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HPGD P15428 6/20 0.53
HSD17B10 Q99714 5/20 0.53
ALDH1A1 P00352 5/20 0.52
ALOX15 P16050 3/20 0.52
MAPK1 P28482 2/20 0.52
L3MBTL1 Q9Y468 2/20 0.52
PKM P14618 1/20 0.51
TDP1 Q9NUW8 1/20 0.51
MAPT P10636 2/20 0.49
KDM4E B2RXH2 1/20 0.49
KMT2A Q03164 2/20 0.49
LMNA P02545 1/20 0.47
MEN1 O00255 1/20 0.47

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
SCHEMBL9167070 0.83 POLB (0.52) HPGDALDH1A1L3MBTL1MAPTKDM4E
SCHEMBL6942406 0.81 HPGD (0.57) HPGDHSD17B10ALDH1A1ALOX15MAPK1
SCHEMBL10839920 0.81 HPGD (0.61) HPGDHSD17B10ALDH1A1ALOX15MAPK1
SCHEMBL8625434 0.81 HPGD (0.57) HPGDHSD17B10ALDH1A1L3MBTL1PKM
SCHEMBL8623561 0.80 L3MBTL1 (0.72) HPGDHSD17B10ALDH1A1ALOX15MAPK1
SCHEMBL6748722 0.78 MAPT (0.61) HPGDALDH1A1MAPK1L3MBTL1MAPT
SCHEMBL24532106 0.78 HPGD (0.47) HPGDHSD17B10ALDH1A1ALOX15MAPK1
SCHEMBL11094447 0.77 MAPT (0.47) HPGDALDH1A1L3MBTL1MAPTKDM4E
SCHEMBL13669850 0.76 MAPT (0.51) HSD17B10ALDH1A1L3MBTL1MAPTKDM4E
SCHEMBL4436794 0.75 HSD17B10 (0.54) HPGDHSD17B10ALDH1A1ALOX15MAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0846112-A1 BICYCLIC HERBICIDES E.I. DU PONT DE NEMOURS AND COMPANY (US) 1998-06-10 EP disclosed
WO-1997008164-A1 BICYCLIC HERBICIDES E.I. DU PONT DE NEMOURS AND COMPANY (US) 1997-03-06 WO disclosed