SCHEMBL8058869

SCHEMBL8058869

CCN(CC)c1ccc(C(=O)NC(C)(CC)C(=O)CCl)cc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.59
ALDH1A1 P00352 5/20 0.59
KDM4E B2RXH2 3/20 0.59
HTT P42858 2/20 0.59
NPC1 O15118 2/20 0.48
RAB9A P51151 2/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
ESRRG P62508 5/20 0.46
ESRRB O95718 1/20 0.46
CNR2 P34972 2/20 0.45
POLB P06746 3/20 0.43
LMNA P02545 3/20 0.43
GAA P10253 2/20 0.43
MEN1 O00255 4/20 0.43
KMT2A Q03164 4/20 0.43
NOX1 Q9Y5S8 2/20 0.43
MCL1 Q07820 1/20 0.43
TP53 P04637 1/20 0.41
CYP3A4 P08684 1/20 0.41
HPGD P15428 1/20 0.41

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
SCHEMBL8058829 0.84 ALDH1A1 (0.49) MAPTALDH1A1KDM4EHTTNPC1
SCHEMBL287961 0.83 ALDH1A1 (0.49) MAPTALDH1A1NPC1RAB9AL3MBTL1
SCHEMBL8065593 0.82 ESRRG (0.45) MAPTALDH1A1KDM4ENPC1RAB9A
SCHEMBL4186853 0.80 HDAC8 (0.38) MAPTALDH1A1KDM4EHTTNPC1
SCHEMBL8048504 0.77 HDAC3 (0.53) MAPTALDH1A1NPC1RAB9AL3MBTL1
SCHEMBL27943283 0.75 KDM4E (0.45) MAPTALDH1A1KDM4EHTTNPC1
SCHEMBL7530423 0.74 GRN (0.43) MAPTALDH1A1RAB9AGAA
SCHEMBL8060073 0.74 ESR1 (0.40) ALDH1A1HTTNPC1RAB9AL3MBTL1
SCHEMBL7684116 0.73 ALDH1A1 (0.50) MAPTALDH1A1KDM4EHTTNPC1
SCHEMBL11052376 0.73 ESRRG (0.70) MAPTALDH1A1KDM4EHTTNPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0816331-B1 Fungicidally active n-acetonylbenzamide compounds ROHM & HAAS (US) 2000-05-24 EP disclosed
US-5929098-A Fungicidically active N-acetonylbenzamide compounds ROHM AND HAAS COMPANY (US) 1999-07-27 US disclosed
EP-0816331-A1 Fungicidally active n-acetonylbenzamide compounds ROHM AND HAAS COMPANY (US) 1998-01-07 EP disclosed