SCHEMBL4597995

SCHEMBL4597995

NC(=O)C1c2ccccc2-c2cccc(CC(F)(F)F)c21

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC3 O15379 1/20 0.37
HDAC4 P56524 1/20 0.37
HDAC7 Q8WUI4 1/20 0.37
HDAC8 Q9BY41 1/20 0.37
HDAC6 Q9UBN7 1/20 0.37
HDAC9 Q9UKV0 1/20 0.37
HDAC5 Q9UQL6 1/20 0.37
NCOR2 Q9Y618 1/20 0.37
PPIA P62937 5/20 0.36
ATM Q13315 2/20 0.36
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
LMNA P02545 1/20 0.33
HTR2B P41595 3/20 0.32
HTR7 P34969 2/20 0.32
HSD17B10 Q99714 1/20 0.32
DPP8 Q6V1X1 1/20 0.32
DPP7 Q9UHL4 1/20 0.32
MCHR1 Q99705 1/20 0.31
ALDH1A1 P00352 1/20 0.31

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
SCHEMBL8135852 0.89 HDAC3 (0.36) HDAC3HDAC4HDAC7HDAC8HDAC6
SCHEMBL8135185 0.87 HDAC3 (0.34) HDAC3HDAC4HDAC7HDAC8HDAC6
SCHEMBL29716365 0.77 CYSLTR2 (0.40) HDAC3HDAC4HDAC7HDAC8HDAC6
SCHEMBL29716326 0.77 CYSLTR2 (0.40) HDAC3HDAC4HDAC7HDAC8HDAC6
SCHEMBL7539130 0.75 ATM (0.40) HDAC3HDAC4HDAC7HDAC8HDAC6
SCHEMBL30250175 0.73 ATM (0.61) HDAC3HDAC4HDAC7HDAC8HDAC6
SCHEMBL3143561 0.73 ATM (0.61) HDAC3HDAC4HDAC7HDAC8HDAC6
Trifluoroacetic Acid SCHEMBL8895982 0.72 ATM (0.49) HDAC3HDAC4HDAC7HDAC8HDAC6
SCHEMBL8483124 0.71 POLB (0.45) HDAC3HDAC4HDAC7HDAC8HDAC6
SCHEMBL8577606 0.69 POLB (0.42) HDAC3HDAC4HDAC7HDAC8HDAC6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-1885694-A2 4-BIARYLYL-1-PHENYLAZETIDIN-2-ONES Microbia, Inc. (US) 2008-02-13 EP disclosed
EP-1879860-A2 1,4-DIPHENYL-3-HYDROXYALKYL-2-AZETIDINONE DERIVATIVES FOR TREATING HYPERCHOLESTROLEMIA Microbia Inc. (US) 2008-01-23 EP disclosed
EP-1877067-A1 4-BIARYLYL-1-PHENYLAZETIDIN-2-ONE GLUCURONIDE DERIVATIVES FOR HYPERCHOLESTEROLEMIA Microbia, Inc. (US) 2008-01-16 EP disclosed
EP-1877373-A2 BIPHENYLAZETIDINONE CHOLESTEROL ABSORPTION INHIBITORS Microbia, Inc. (US) 2008-01-16 EP disclosed
EP-1851197-A2 PHENYLAZETIDINONE DERIVATIVES Microbia, Inc. (US) 2007-11-07 EP disclosed
WO-2006124713-A2 4-BIARYLYL-1-PHENYLAZETIDIN-2-ONES MICROBIA, INC. (US) 2006-11-23 WO disclosed
WO-2006122186-A2 1,4-DIPHENYL-3-HYDROXYALKYL-2-AZETIDINONE DERIVATIVES FOR TREATING HYPERCHOLESTROLEMIA MICROBIA, INC. (US) 2006-11-16 WO disclosed
WO-2006121861-A2 BIPHENYLAZETIDINONE CHOLESTEROL ABSORPTION INHIBITORS MICROBIA, INC. (US) 2006-11-16 WO disclosed
WO-2006116499-A1 4-BIARYLYL-1-PHENYLAZETIDIN-2-ONE GLUCURONIDE DERIVATIVES FOR HYPERCHOLESTEROLEMIA MICROBIA, INC. (US) 2006-11-02 WO disclosed
WO-2006086562-A2 PHENYLAZETIDINONE DERIVATIVES MICROBIA, INC. (US) 2006-08-17 WO 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-1997043257-A1 INHIBITORS OF MICROSOMAL TRIGLYCERIDE TRANSFER PROTEIN AND METHOD BRISTOL-MYERS SQUIBB COMPANY (US) 1997-11-20 WO disclosed