SCHEMBL6648148

SCHEMBL6648148

CCCC1(C=O)c2ccccc2-c2ccccc21

nearest known ligand 0.38

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
APEX1 P27695 1/20 0.38
PGR P06401 2/20 0.36
CYP2D6 P10635 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.35
CYP2C19 P33261 3/20 0.35
CYP2C9 P11712 2/20 0.35
NPSR1 Q6W5P4 2/20 0.35
TDP1 Q9NUW8 2/20 0.34
THRB P10828 1/20 0.34
KMT2A Q03164 2/20 0.33
CYP1A2 P05177 1/20 0.33
S100A4 P26447 1/20 0.33
PDK2 Q15119 1/20 0.33
MEN1 O00255 1/20 0.33
RECQL P46063 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
TRPA1 O75762 1/20 0.33

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
SCHEMBL8053723 0.74 PGR (0.42) APEX1PGRCYP2D6SMN1; SMN2CYP2C19
SCHEMBL9867937 0.73 APEX1 (0.53) APEX1PGRCYP2D6SMN1; SMN2CYP2C19
SCHEMBL29370881 0.73 APEX1 (0.53) APEX1PGRCYP2D6SMN1; SMN2CYP2C19
SCHEMBL1617518 0.73 APEX1 (0.53) APEX1PGRCYP2D6SMN1; SMN2CYP2C19
SCHEMBL22870080 0.71 PGR (0.40) APEX1PGRCYP2D6TDP1THRB
SCHEMBL8053728 0.69 CYP1A2 (0.47) APEX1CYP2D6CYP2C19TDP1THRB
SCHEMBL29391962 0.69 THRB (0.44) APEX1SMN1; SMN2NPSR1TDP1THRB
SCHEMBL18759515 0.69 THRB (0.44) APEX1SMN1; SMN2NPSR1TDP1THRB
SCHEMBL83466 0.68 APEX1 (0.48) APEX1PGRCYP2C19CYP2C9NPSR1
SCHEMBL9781136 0.68 PGR (0.44) APEX1PGRCYP2D6CYP2C9NPSR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0904262-B1 CONFORMATIONALLY RESTRICTED AROMATIC INHIBITORS OF MICROSOMAL TRIGLYCERIDE TRANSFER PROTEIN AND METHOD BRISTOL MYERS SQUIBB CO (US) 2004-04-21 EP claimed
EP-0904262-A4 CONFORMATIONALLY RESTRICTED AROMATIC INHIBITORS OF MICROSOMAL TRIGLYCERIDE TRANSFER PROTEIN AND METHOD BRISTOL MYERS SQUIBB CO (US) 2000-10-04 EP claimed
EP-0904262-A1 CONFORMATIONALLY RESTRICTED AROMATIC INHIBITORS OF MICROSOMAL TRIGLYCERIDE TRANSFER PROTEIN AND METHOD BRISTOL-MYERS SQUIBB COMPANY (US) 1999-03-31 EP claimed
WO-1997026240-A1 CONFORMATIONALLY RESTRICTED AROMATIC INHIBITORS OF MICROSOMAL TRIGLYCERIDE TRANSFER PROTEIN AND METHOD BRISTOL-MYERS SQUIBB COMPANY (US) 1997-07-24 WO claimed