SCHEMBL6648121

SCHEMBL6648121

CCCC1(C(=O)N2CCOCC2)c2ccccc2-c2ccccc21

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.46
KMT2A Q03164 2/20 0.42
GAA P10253 1/20 0.42
PDK2 Q15119 1/20 0.42
SLC6A2 P23975 1/20 0.41
SLC6A4 P31645 1/20 0.41
SLC6A3 Q01959 1/20 0.41
NPSR1 Q6W5P4 2/20 0.41
MEN1 O00255 1/20 0.41
LMNA P02545 3/20 0.40
POLB P06746 1/20 0.40
ALDH1A1 P00352 1/20 0.40
TSHR P16473 1/20 0.40
SLC6A9 P48067 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2C19 P33261 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
SCHEMBL24832622 0.75 SMN1; SMN2 (0.57) SMN1; SMN2KMT2APDK2MEN1LMNA
SCHEMBL29930473 0.75 SMN1; SMN2 (0.57) SMN1; SMN2KMT2APDK2MEN1LMNA
SCHEMBL6187511 0.73 THRB (0.50) PDK2ALDH1A1
SCHEMBL6771836 0.71 SMN1; SMN2 (0.41) SMN1; SMN2KMT2AGAASLC6A2SLC6A4
SCHEMBL6648015 0.71 MTTP (0.46) PDK2
SCHEMBL6648011 0.70 HTT (0.46) KMT2APOLBALDH1A1
SCHEMBL6649291 0.70 APEX1 (0.46) KMT2AMEN1ALDH1A1
SCHEMBL6648511 0.69 MTTP (0.42) PDK2
SCHEMBL10775859 0.69 KMT2A (0.38) KMT2AGAAMEN1LMNAPOLB
SCHEMBL24832624 0.69 SMN1; SMN2 (0.49) SMN1; SMN2KMT2APDK2MEN1LMNA

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
US-6472414-B1 Conformationally restricted aromatic inhibitors of microsomal triglyceride transfer protein and method BRISTOL-MYERS SQUIBB COMPANY 2002-10-29 US 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
WO-1997026240-A1 CONFORMATIONALLY RESTRICTED AROMATIC INHIBITORS OF MICROSOMAL TRIGLYCERIDE TRANSFER PROTEIN AND METHOD BRISTOL-MYERS SQUIBB COMPANY (US) 1997-07-24 WO disclosed