SCHEMBL6647281

SCHEMBL6647281

C=CCC1(C(=O)N(C)CC)c2ccccc2-c2ccccc21

nearest known ligand 0.62

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PDK2 Q15119 7/20 0.41
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
POLB P06746 2/20 0.36
ALDH1A1 P00352 2/20 0.36
SLC6A2 P23975 2/20 0.36
SLC6A4 P31645 1/20 0.36
SLC6A3 Q01959 1/20 0.36
PGR P06401 2/20 0.34
MAPT P10636 1/20 0.33
APEX1 P27695 1/20 0.33
THRB P10828 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
ALPL P05186 1/20 0.33
GAA P10253 1/20 0.33
ALPG P10696 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
SCHEMBL6649344 0.87 PDK2 (0.40) PDK2MEN1KMT2APOLBALDH1A1
SCHEMBL5864017 0.77 THRB (0.48) PDK2MEN1KMT2APOLBALDH1A1
Butane SCHEMBL28645193 0.77 THRB (0.35) PDK2MEN1KMT2APOLBALDH1A1
SCHEMBL5864282 0.75 MAPT (0.39) PDK2MEN1KMT2AALDH1A1MAPT
Hydrochloric Acid SCHEMBL6771034 0.75 THRB (0.47) PDK2MEN1KMT2APOLBALDH1A1
SCHEMBL6771024 0.75 THRB (0.39) PDK2MEN1KMT2APOLBALDH1A1
SCHEMBL7046510 0.75 PDK2 (0.43) PDK2SLC6A2SLC6A4SLC6A3APEX1
SCHEMBL6648109 0.72 TSHR (0.44) MEN1KMT2A
SCHEMBL7597606 0.70 PGR (0.41) PDK2ALDH1A1SLC6A2SLC6A4PGR
Alcohol SCHEMBL28871387 0.68 PGR (0.43) PDK2MEN1KMT2APOLBALDH1A1

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 10 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
EP-0904262-B1 CONFORMATIONALLY RESTRICTED AROMATIC INHIBITORS OF MICROSOMAL TRIGLYCERIDE TRANSFER PROTEIN AND METHOD BRISTOL MYERS SQUIBB CO (US) 2004-04-21 EP disclosed
US-6472414-B1 Conformationally restricted aromatic inhibitors of microsomal triglyceride transfer protein and method BRISTOL-MYERS SQUIBB COMPANY 2002-10-29 US disclosed
EP-0904262-A4 CONFORMATIONALLY RESTRICTED AROMATIC INHIBITORS OF MICROSOMAL TRIGLYCERIDE TRANSFER PROTEIN AND METHOD BRISTOL MYERS SQUIBB CO (US) 2000-10-04 EP disclosed
EP-0904262-A1 CONFORMATIONALLY RESTRICTED AROMATIC INHIBITORS OF MICROSOMAL TRIGLYCERIDE TRANSFER PROTEIN AND METHOD BRISTOL-MYERS SQUIBB COMPANY (US) 1999-03-31 EP disclosed
US-5760246-A ANTILIPEMIC AGENTS, ANTICHOLESTEROL AGENTS BRISTOL-MYERS SQUIBB COMPANY 1998-06-02 US disclosed
WO-1997026240-A1 CONFORMATIONALLY RESTRICTED AROMATIC INHIBITORS OF MICROSOMAL TRIGLYCERIDE TRANSFER PROTEIN AND METHOD BRISTOL-MYERS SQUIBB COMPANY (US) 1997-07-24 WO disclosed