SCHEMBL8048655

SCHEMBL8048655

CCC(C)(NC(=O)c1cc(C)c(N)c(C)c1)C(=O)CCl

nearest known ligand 0.34

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
CYP2C19 P33261 1/20 0.33
POLB P06746 2/20 0.32
ESRRG P62508 1/20 0.32
ANO1 Q5XXA6 2/20 0.31
NPSR1 Q6W5P4 1/20 0.31
ALDH1A1 P00352 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
LMNA P02545 1/20 0.30
VDR P11473 1/20 0.30

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
SCHEMBL8058888 0.93 HTT (0.31) HTTL3MBTL1ESRRG
SCHEMBL8061265 0.92 GAA (0.34) HTTL3MBTL1CYP2C19POLBANO1
SCHEMBL7527475 0.86 HSD11B1 (0.38) HTTL3MBTL1CYP2C19ANO1NPSR1
SCHEMBL8060073 0.85 ESR1 (0.40) HTTL3MBTL1ESRRGNPSR1ALDH1A1
SCHEMBL8048369 0.85 HDAC1 (0.46) HTTL3MBTL1POLBESRRGANO1
SCHEMBL8063596 0.85 HTT (0.32) HTTL3MBTL1POLBANO1
SCHEMBL8060063 0.85 GSK3B (0.36) HTTL3MBTL1POLBANO1ALDH1A1
SCHEMBL8048361 0.84 POLB (0.36) CYP2C19POLBANO1
SCHEMBL8336348 0.83 L3MBTL1 (0.32) HTTL3MBTL1
SCHEMBL8336346 0.83 L3MBTL1 (0.32) HTTL3MBTL1

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