SCHEMBL4620639

SCHEMBL4620639

CCOC(=O)C(=O)Nc1c(C)cccc1C(=O)NC

nearest known ligand 0.50

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
GPR35 Q9HC97 1/20 0.50
GAA P10253 5/20 0.47
NLRP3 Q96P20 2/20 0.46
ALDH1A1 P00352 5/20 0.45
KDM4E B2RXH2 1/20 0.45
HPGD P15428 1/20 0.45
MAPT P10636 2/20 0.44
L3MBTL1 Q9Y468 2/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2D6 P10635 1/20 0.43
PKM P14618 2/20 0.43
POLB P06746 2/20 0.42
RAB9A P51151 2/20 0.42
MEN1 O00255 1/20 0.42
NPC1 O15118 1/20 0.42
KMT2A Q03164 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
DHODH Q02127 1/20 0.42
CYP19A1 P11511 1/20 0.40

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
SCHEMBL163242 0.86 GPR35 (0.52) GPR35GAANLRP3ALDH1A1KDM4E
SCHEMBL13779378 0.85 GPR35 (0.61) GPR35GAANLRP3ALDH1A1MAPT
SCHEMBL4729165 0.80 KDM4E (0.67) GPR35GAAALDH1A1KDM4EHPGD
SCHEMBL7322003 0.74 ALDH1A1 (0.54) GPR35GAANLRP3ALDH1A1MAPT
SCHEMBL11445390 0.73 GPR35 (0.67) GPR35GAANLRP3ALDH1A1MAPT
SCHEMBL22390769 0.73 NLRP3 (0.61) GPR35GAANLRP3ALDH1A1KDM4E
SCHEMBL14255616 0.73 POLB (0.40) GAAALDH1A1KDM4EL3MBTL1POLB
SCHEMBL162716 0.72 MAPT (0.51) GPR35GAANLRP3ALDH1A1KDM4E
SCHEMBL15144499 0.72 GAA (0.73) GPR35GAANLRP3ALDH1A1KDM4E
SCHEMBL28066430 0.71 GPR35 (0.49) GPR35GAANLRP3ALDH1A1KDM4E

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
WO-2008031549-A1 PROCESS FOR THE PREPARATION OF ANTHRANILAMIDE DERIVATIVES SYNGENTA PARTICIPATIONS AG (CH) 2008-03-20 WO disclosed
WO-2008031548-A1 PROCESS FOR THE PREPARATION OF ANTHRANILAMIDE DERIVATIVES SYNGENTA PARTICIPATIONS AG (CH) 2008-03-20 WO disclosed
WO-2008031549-A1 PROCESS FOR THE PREPARATION OF ANTHRANILAMIDE DERIVATIVES SYNGENTA PARTICIPATIONS AG (CH) 2008-03-20 WO disclosed
EP-1900730-A1 Process for the preparation of anthranilamide derivatives Syngeta Participations AG (CH) 2008-03-19 EP disclosed
EP-1900730-A1 Process for the preparation of anthranilamide derivatives Syngeta Participations AG (CH) 2008-03-19 EP disclosed