SCHEMBL8058829

SCHEMBL8058829

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

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.49
MAPT P10636 5/20 0.49
KDM4E B2RXH2 2/20 0.49
HTT P42858 2/20 0.49
CNR2 P34972 2/20 0.45
ESRRG P62508 7/20 0.43
LMNA P02545 3/20 0.43
POLB P06746 2/20 0.43
GAA P10253 2/20 0.43
ESRRB O95718 1/20 0.43
MEN1 O00255 3/20 0.43
KMT2A Q03164 3/20 0.43
MCL1 Q07820 1/20 0.43
NOX1 Q9Y5S8 1/20 0.43
NPC1 O15118 1/20 0.42
RAB9A P51151 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
TSHR P16473 2/20 0.41
TP53 P04637 1/20 0.41
CYP3A4 P08684 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
SCHEMBL8058869 0.84 MAPT (0.59) ALDH1A1MAPTKDM4EHTTCNR2
SCHEMBL8065576 0.79 MAPT (0.48) ALDH1A1MAPTHTTLMNAPOLB
SCHEMBL7161750 0.74 ALDH1A1 (0.34) ALDH1A1MAPTKDM4EHTTLMNA
SCHEMBL7027760 0.74 ALDH1A1 (0.34) ALDH1A1MAPTKDM4EHTTLMNA
SCHEMBL8059015 0.73 HSD11B1 (0.37) ALDH1A1MAPTKDM4EHTTCNR2
SCHEMBL13226379 0.71 MAPT (0.59) ALDH1A1MAPTKDM4EHTTCNR2
SCHEMBL961379 0.71 MAPT (0.59) ALDH1A1MAPTKDM4EHTTCNR2
SCHEMBL11052376 0.70 ESRRG (0.70) ALDH1A1MAPTKDM4EHTTCNR2
SCHEMBL24534681 0.69 HDAC1 (0.53) ALDH1A1MAPTHTTLMNAPOLB
SCHEMBL9695860 0.69 HDAC3 (0.65) ALDH1A1MAPTESRRGLMNAPOLB

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