SCHEMBL6648109

SCHEMBL6648109

C=CCC1(C(=O)NCCCC)c2ccccc2-c2ccccc21

nearest known ligand 0.75

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.44
HTT P42858 1/20 0.44
MTTP P55157 1/20 0.42
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
ASAH1 Q13510 1/20 0.40
HPGD P15428 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.39

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
SCHEMBL11089092 0.80 MTTP (0.43) HTTMTTPKMT2AASAH1
SCHEMBL6649615 0.79 CYP1A2 (0.48) KMT2A
SCHEMBL6649098 0.77 POLB (0.39) HTTHPGDSMN1; SMN2
Butane SCHEMBL28645193 0.77 THRB (0.35) MTTPMEN1KMT2A
SCHEMBL6771005 0.77 MTTP (0.50) MTTP
SCHEMBL6649813 0.75 EGFR (0.40) HTTMTTPKMT2A
SCHEMBL6649817 0.75 EGFR (0.40) HTTMTTPKMT2A
SCHEMBL10780990 0.75 MTTP (0.39) HTTMTTPASAH1
SCHEMBL6648420 0.75 PDK2 (0.45) MTTPASAH1
SCHEMBL5864017 0.75 THRB (0.48) TSHRHTTMEN1KMT2A

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 13 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-1453473-A2 EMOLLIENTS AND COSMETIC COMPOSITIONS COMPRISING 2-METHYL-1,3-PROPANEDIESTERS Cognis Deutschland GmbH & Co. KG (DE) 2004-09-08 EP disclosed
EP-0904262-B1 CONFORMATIONALLY RESTRICTED AROMATIC INHIBITORS OF MICROSOMAL TRIGLYCERIDE TRANSFER PROTEIN AND METHOD BRISTOL MYERS SQUIBB CO (US) 2004-04-21 EP disclosed
WO-2003053373-A2 EMOLLIENTS AND COSMETIC COMPOSITIONS CONTAINING 2-METHYL-1,3-PROPANEDIOL DIESTERS COGNIS DEUTSCHLAND GMBH & CO. KG (DE) 2003-07-03 WO 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
US-H1729-H Method for preparing compounds employing solid phase synthesis and novel linker-resin BRISTOL-MYERS SQUIBB COMPANY (US) 1998-05-05 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