SCHEMBL679467

SCHEMBL679467

O=C(O)CC(O)(C(=O)O)C(F)C(=O)O

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACLY P53396 5/20 0.59
CPT2 P23786 1/20 0.59
HSPD1 P10809 1/20 0.44
BLM P54132 1/20 0.44
HSPE1 P61604 1/20 0.44
ALDH1A1 P00352 1/20 0.42
HMGCR P04035 1/20 0.37
CHRM1 P11229 1/20 0.37
TBXA2R P21731 1/20 0.37
ADRA1A P35348 1/20 0.37
CYP2D6 P10635 1/20 0.36
TSHR P16473 1/20 0.36
CYP2C19 P33261 1/20 0.36
HIF1A Q16665 1/20 0.36
TDP1 Q9NUW8 1/20 0.33
MEN1 O00255 1/20 0.30
HPGD P15428 1/20 0.30
RECQL P46063 1/20 0.30
KMT2A Q03164 1/20 0.30
HSD17B10 Q99714 1/20 0.30

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
SCHEMBL17656832 1.00 ACLY (0.59) ACLYCPT2HSPD1BLMHSPE1
SCHEMBL31629798 1.00 ACLY (0.59) ACLYCPT2HSPD1BLMHSPE1
SCHEMBL4416232 1.00 ACLY (0.59) ACLYCPT2HSPD1BLMHSPE1
SCHEMBL9550997 0.77 ACLY (0.59) ACLYCPT2HSPD1BLMHSPE1
SCHEMBL29074266 0.77 ACLY (0.54) ACLYCPT2HSPD1BLMHSPE1
SCHEMBL2190166 0.76 ACLY (0.64) ACLYCPT2HSPD1BLMHSPE1
SCHEMBL17181757 0.74 ACLY (1.00) ACLYCPT2HSPD1BLMHSPE1
SCHEMBL2111332 0.74 ACLY (1.00) ACLYCPT2HSPD1BLMHSPE1
SCHEMBL17181773 0.74 ACLY (1.00) ACLYCPT2HSPD1BLMHSPE1
SCHEMBL6773065 0.74 ACLY (1.00) ACLYCPT2HSPD1BLMHSPE1

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 251 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115177727-A Linked gene inactivation biomarkers and targets for cancer therapy 得克萨斯系统大学董事会 2022-10-14 CN claimed
EP-3727361-A1 TREATMENT OF PAIN AND/OR PAIN RELATED SYMPTOMS ASSOCIATED WITH DYSMENORRHEA Alyra Biotech Pty Ltd (AU) 2020-10-28 EP claimed
US-20170216459-A1 COMPOSTIONS AND METHODS FOR DIAGNOSIS OF AXIAL PAIN WITH OR WITHOUT RADICULOPATHY WARSAW ORTHOPEDIC INC (US) 2017-08-03 US claimed
US-9452182-B2 Collateral gene inactivation biomarkers and targets for cancer therapy BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) 2016-09-27 US claimed
US-20150104439-A1 PHARMACEUTICAL REMOVAL OF NEURONAL EXTENSIONS FROM A DEGENERATING DISC WARSAW ORTHOPEDIC INC (US) 2015-04-16 US claimed
US-20140378529-A1 COLLATERAL GENE INACTIVATION BIOMARKERS AND TARGETS FOR CANCER THERAPY DANA-FARBER CANCER INSTITUTE, INC. (US) 2014-12-25 US claimed
EP-2790738-A2 COLLATERAL GENE INACTIVATION BIOMARKERS AND TARGETS FOR CANCER THERAPY The Board of Regents of The University of Texas System (US) 2014-10-22 EP claimed
EP-2632552-A1 INHIBITION OF MICROBIAL GROWTH BY ACONITASE INHIBITION The Procter and Gamble Company (US) 2013-09-04 EP claimed
WO-2013090732-A2 COLLATERAL GENE INACTIVATION BIOMARKERS AND TARGETS FOR CANCER THERAPY THE BOARD OF REGENTS OF THE UNIVERSITY OF TEXAS SYSTEM (US) 2013-06-20 WO claimed
US-20130108610-A1 Inhibition of Microbial Growth by Aconitase Inhibition THE PROCTER & GAMBLE COMPANY 2013-05-02 US claimed
US-20070287991-A1 Devices and methods for detection of markers of axial pain with or without radiculopathy MEDTRONIC, INC. 2007-12-13 US claimed
US-20070253928-A1 Pharmaceutical removal of neuronal extensions from a degenerating disc WARSAW ORTHOPEDIC, INC. 2007-11-01 US claimed
US-20070253930-A1 Pharmaceutical removal of vascular and/or neuronal extensions form a degenerating disc WARSAW ORTHOPEDIC, INC. 2007-11-01 US claimed
EP-1789030-A2 MEDICAL IMPLANT PROVIDED WITH INHIBITORS OF ATP SYNTHESIS Interstitial Therapeutics (CH) 2007-05-30 EP claimed
EP-1789107-A2 MEDICAL STENT PROVIDED WITH INHIBITORS OF ATP SYNTHESIS Interstitial Therapeutics (CH) 2007-05-30 EP claimed
WO-2006024488-A2 MEDICAL STENT PROVIDED WITH INHIBITORS OF ATP SYNTHESIS INTERSTITIAL THERAPEUTICS (CH) 2006-03-09 WO claimed
WO-2006024492-A2 MEDICAL IMPLANT PROVIDED WITH INHIBITORS OF ATP SYNTHESIS INTERSTITIAL THERAPEUTICS (CH) 2006-03-09 WO claimed
WO-2004028448-A9 METHOD OF ALLEVIATING PAIN VIA INHIBITION OF NEUROTRANSMITTER SYNTHESIS MILLER KENNETH E (US) 2004-12-02 WO claimed
US-20040126368-A1 Method of alleviating chronic pain via peripheral inhibition of neurotransmitter synthesis THE BOARD OF REGENTS OF THE UNIVERSITY OF OKLOHOMA 2004-07-01 US claimed
WO-2004028448-A2 METHOD OF ALLEVIATING PAIN VIA INHIBITION OF NEUROTRANSMITTER SYNTHESIS MILLER KENNETH E (US) 2004-04-08 WO claimed