SCHEMBL5796263

SCHEMBL5796263

COc1cc(C(CO)=C(C(C)=O)C(=O)O)ccc1O

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.56
MEN1 O00255 2/20 0.54
KMT2A Q03164 2/20 0.54
SLC22A6 Q4U2R8 1/20 0.54
SLC22A8 Q8TCC7 1/20 0.54
RAB9A P51151 1/20 0.54
HSD17B2 P37059 1/20 0.50
CYP1A2 P05177 1/20 0.49
HSP90AA1 P07900 1/20 0.49
HSP90AB1 P08238 1/20 0.49
BLM P54132 1/20 0.49
KDM4E B2RXH2 1/20 0.48
POLB P06746 1/20 0.48
HDAC6 Q9UBN7 1/20 0.48
ALDH1A1 P00352 3/20 0.46
GAA P10253 2/20 0.46
TSHR P16473 1/20 0.46
NFKB1 P19838 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.44

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
SCHEMBL5796261 1.00 HTT (0.56) HTTMEN1KMT2ASLC22A6SLC22A8
SCHEMBL2211645 0.89 HTT (0.56) HTTMEN1KMT2ASLC22A6SLC22A8
SCHEMBL2215802 0.85 HTT (0.52) HTTMEN1KMT2ASLC22A6SLC22A8
SCHEMBL2208985 0.78 HTT (0.56) HTTMEN1KMT2ASLC22A6SLC22A8
Apocynin SCHEMBL28537029 0.76 HTT (0.71) HTTMEN1KMT2ASLC22A6SLC22A8
SCHEMBL1491848 0.76 MEN1 (0.68) HTTMEN1KMT2ASLC22A6SLC22A8
SCHEMBL5597481 0.74 HTT (0.59) HTTMEN1KMT2ASLC22A6SLC22A8
SCHEMBL5597482 0.74 HTT (0.59) HTTMEN1KMT2ASLC22A6SLC22A8
Apocynin SCHEMBL108512 0.74 HTT (0.73) HTTMEN1KMT2ASLC22A6SLC22A8
SCHEMBL760262 0.74 MEN1 (0.82) HTTMEN1KMT2ASLC22A6SLC22A8

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2006052985-A1 LACTONES AS NEW OXYGENATE FUEL ADDITIVES, FUELS BASED THEREON AND METHODS FOR USING SAME THE BOARD OF REGENTS OF THE UNIVERSITY OF TEXAS SYSTEM (US) 2006-05-18 WO claimed
US-20060096158-A1 Lactones as new oxygenate fuel additives, fuels based thereon and methods for using same ROBINSON J M 2006-05-11 US claimed
US-5877210-A CONTROLLING IMMUNE RESPONSE BRISTOL-MYERS SQUIBB COMPANY (US) 1999-03-02 US claimed
US-5583242-A VANADYL COMPLEXES BRISTOL-MYERS SQUIBB COMPANY (US) 1996-12-10 US claimed
US-5565491-A FOR TREATMENT OF DISEASES MARKED BY MALIGNANT PROLIFERATION OF B CELLS, SUCH AS LEUKEMIA AND LYMPHOMAS; ANTICARCINOGENIC AGENTS BRISTOL-MYERS SQUIBB COMPANY (US) 1996-10-15 US claimed
US-20230241078-A1 Vanadyl and vanadate for use in reducing stress-induced metabolic derangement CFM PHARMA HOLDING B.V. (NL) 2023-08-03 US disclosed
US-20200246352-A1 Vanadyl and vanadate for use in reducing stress-induced metabolic derangement CFM PHARMA HOLDING B.V. (NL) 2020-08-06 US disclosed
EP-3684352-A1 VANADYL AND VANADATE FOR USE IN REDUCING STRESS -INDUCED METABOLIC DERANGEMENT CFM Pharma Holding BV (NL) 2020-07-29 EP disclosed
WO-2019059770-A1 VANADYL AND VANADATE FOR USE IN REDUCING STRESS -INDUCED METABOLIC DERANGEMENT CFM PHARMA HOLDING B.V. (NL) 2019-03-28 WO disclosed
WO-2006052985-A1 LACTONES AS NEW OXYGENATE FUEL ADDITIVES, FUELS BASED THEREON AND METHODS FOR USING SAME THE BOARD OF REGENTS OF THE UNIVERSITY OF TEXAS SYSTEM (US) 2006-05-18 WO disclosed
US-20060096158-A1 Lactones as new oxygenate fuel additives, fuels based thereon and methods for using same ROBINSON J M 2006-05-11 US disclosed
US-5877210-A CONTROLLING IMMUNE RESPONSE BRISTOL-MYERS SQUIBB COMPANY (US) 1999-03-02 US disclosed
US-5846998-A Use of phosphotyrosine phosphatase inhibitors or phosphotyrosine kinase activators for controlling cellular proliferation BRISTOL-MYERS SQUIBB COMPANY (US) 1998-12-08 US disclosed
US-5693627-A TREATING DISEASES SUCH AS LEUKEMIAS AND LYMPHOMAS BRISTOL-MYERS SQUIBB COMPANY (US) 1997-12-02 US disclosed
US-5583242-A VANADYL COMPLEXES BRISTOL-MYERS SQUIBB COMPANY (US) 1996-12-10 US disclosed
US-5565491-A FOR TREATMENT OF DISEASES MARKED BY MALIGNANT PROLIFERATION OF B CELLS, SUCH AS LEUKEMIA AND LYMPHOMAS; ANTICARCINOGENIC AGENTS BRISTOL-MYERS SQUIBB COMPANY (US) 1996-10-15 US disclosed
EP-0735880-A1 USE OF VANADIUM MOLYBDENUM OR TUNGSTEN COMPLEXES FOR CONTROLLING CELLULAR PROLIFERATION Bristol-Myers Squibb Company (US) 1996-10-09 EP disclosed
WO-1995020390-A1 USE OF VANADIUM MOLYBDENUM OR TUNGSTEN COMPLEXES FOR CONTROLLING CELLULAR PROLIFERATION BRISTOL-MYERS SQUIBB COMPANY (US) 1995-08-03 WO disclosed