SCHEMBL8060073

SCHEMBL8060073

CCC(C)(NC(=O)c1ccc(N)c(C)c1)C(=O)CCl

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 2/20 0.40
AR P10275 1/20 0.40
ESR2 Q92731 1/20 0.40
ESRRG P62508 1/20 0.37
KMT2A Q03164 3/20 0.36
SMN1; SMN2 Q16637 3/20 0.36
MEN1 O00255 2/20 0.36
HDAC3 O15379 2/20 0.35
ALDH1A1 P00352 3/20 0.35
HPGD P15428 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
NPC1 O15118 3/20 0.34
RAB9A P51151 3/20 0.34
LMNA P02545 2/20 0.34
HTT P42858 1/20 0.34
HDAC1 Q13547 1/20 0.34
HDAC2 Q92769 1/20 0.34
TP53BP1 Q12888 1/20 0.34
ATM Q13315 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34

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
SCHEMBL8048655 0.85 HTT (0.33) ESRRGSMN1; SMN2ALDH1A1NPSR1LMNA
SCHEMBL8058888 0.85 HTT (0.31) ESRRGHTTL3MBTL1
SCHEMBL27943283 0.83 KDM4E (0.45) KMT2ASMN1; SMN2MEN1ALDH1A1NPSR1
SCHEMBL8065549 0.83 MEN1 (0.49) KMT2ASMN1; SMN2MEN1ALDH1A1HPGD
SCHEMBL8065593 0.82 ESRRG (0.45) ESRRGKMT2ASMN1; SMN2MEN1HDAC3
SCHEMBL7684116 0.82 ALDH1A1 (0.50) KMT2ASMN1; SMN2MEN1ALDH1A1NPSR1
SCHEMBL8061097 0.81 RAB9A (0.55) KMT2ASMN1; SMN2MEN1ALDH1A1NPSR1
SCHEMBL8061265 0.81 GAA (0.34) ALDH1A1NPSR1LMNAHTTL3MBTL1
SCHEMBL287961 0.81 ALDH1A1 (0.49) KMT2ASMN1; SMN2MEN1ALDH1A1HPGD
SCHEMBL8060063 0.79 GSK3B (0.36) KMT2ASMN1; SMN2MEN1ALDH1A1NPC1

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