SCHEMBL6649291

SCHEMBL6649291

CCCC(=O)C1(CCC)c2ccccc2-c2ccccc21

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
APEX1 P27695 1/20 0.46
NPC1 O15118 2/20 0.39
RAB9A P51151 2/20 0.39
THRB P10828 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
TDP2 O95551 1/20 0.38
PAX8 Q06710 1/20 0.38
HKDC1 Q2TB90 1/20 0.38
TLR9 Q9NR96 1/20 0.38
PTPRC P08575 2/20 0.37
CES1 P23141 2/20 0.37
CES2 O00748 1/20 0.37
MAPK1 P28482 1/20 0.37
MEN1 O00255 1/20 0.36
PKM P14618 1/20 0.36
KMT2A Q03164 1/20 0.36
ALDH1A1 P00352 1/20 0.36
MAPT P10636 1/20 0.36
HPGD P15428 1/20 0.36
MTTP P55157 1/20 0.36

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
SCHEMBL6650206 0.90 APEX1 (0.44) APEX1CES1CES2ALDH1A1MTTP
SCHEMBL6647688 0.87 APEX1 (0.41) APEX1THRBTDP1MTTP
SCHEMBL6647141 0.84 HDAC3 (0.42) APEX1NPC1RAB9ATDP1MAPK1
SCHEMBL6187511 0.82 THRB (0.50) APEX1NPC1RAB9ATHRBTDP1
SCHEMBL2686605 0.82 APEX1 (0.39) APEX1NPC1RAB9ATHRBTDP1
SCHEMBL2686958 0.81 APEX1 (0.38) APEX1NPC1RAB9ATHRBTDP1
SCHEMBL2687261 0.80 APEX1 (0.37) APEX1NPC1RAB9AALDH1A1MTTP
SCHEMBL8137742 0.79 APEX1 (0.40) APEX1CES1CES2MTTP
SCHEMBL6649051 0.78 KDM4E (0.44) MAPK1MEN1PKMKMT2AALDH1A1
SCHEMBL6648511 0.78 MTTP (0.42) APEX1THRBTDP1MTTP

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