SCHEMBL4630104

SCHEMBL4630104

CCCOc1ccc(C([NH])=O)cc1

nearest known ligand 0.64

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 3/20 0.64
PLK1 P53350 1/20 0.64
TSHR P16473 2/20 0.54
TP53 P04637 1/20 0.54
PLA2G4B P0C869 2/20 0.53
LMNA P02545 1/20 0.53
MAPT P10636 4/20 0.53
GAA P10253 1/20 0.52
LTA4H P09960 1/20 0.52
ABCG2 Q9UNQ0 1/20 0.51
KDM4E B2RXH2 1/20 0.50
ALDH1A1 P00352 1/20 0.50
RAB9A P51151 1/20 0.50
MCL1 Q07820 1/20 0.50
HSD17B10 Q99714 1/20 0.50

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
SCHEMBL5188423 0.92 TP53 (0.64) L3MBTL1TSHRTP53PLA2G4BGAA
SCHEMBL7464498 0.87 TP53 (0.73) TSHRTP53PLA2G4BLMNAMAPT
SCHEMBL7455421 0.87 TP53 (0.73) TSHRTP53PLA2G4BLMNAMAPT
SCHEMBL6341040 0.84 L3MBTL1 (0.68) L3MBTL1PLK1TSHRTP53PLA2G4B
SCHEMBL1465950 0.84 PARP10 (0.66) L3MBTL1PLK1PLA2G4BKDM4EALDH1A1
SCHEMBL175191 0.82 TP53 (0.77) L3MBTL1PLK1TSHRTP53PLA2G4B
SCHEMBL1442973 0.82 L3MBTL1 (0.78) L3MBTL1PLK1TSHRTP53PLA2G4B
SCHEMBL29538825 0.81 L3MBTL1 (0.64) L3MBTL1PLK1TSHRTP53PLA2G4B
SCHEMBL8172219 0.81 L3MBTL1 (0.74) L3MBTL1PLK1TSHRTP53MAPT
SCHEMBL7632695 0.81 L3MBTL1 (0.74) L3MBTL1PLK1TSHRTP53LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1919481-A2 THERAPY FOR NEUROLOGICAL DISEASES Ares Trading S.A. (CH) 2008-05-14 EP disclosed
WO-2007014943-A2 THERAPY FOR NEUROLOGICAL DISEASES ARES TRADING S.A. (CH) 2007-02-08 WO disclosed
EP-0765879-B1 13-Substituted milbemycin 5-oxime derivatives, their preparation and their use against insects and other pests SANKYO CO (JP) 2001-02-14 EP disclosed
US-5861429-A MITICIDES AND ANTHELMINTICS SANKYO COMPANY, LIMITED (JP) 1999-01-19 US disclosed
EP-0765879-A1 13-Substituted milbemycin 5-oxime derivatives, their preparation and their use against insects and other pests SANKYO COMPANY LIMITED (JP) 1997-04-02 EP disclosed