SCHEMBL791432

SCHEMBL791432

COc1cc(C(=O)CCCO)ccc1O

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC22A6 Q4U2R8 1/20 0.60
SLC22A8 Q8TCC7 1/20 0.60
MEN1 O00255 1/20 0.60
RAB9A P51151 1/20 0.60
KMT2A Q03164 1/20 0.60
HTT P42858 1/20 0.58
HDAC6 Q9UBN7 1/20 0.56
HSD17B2 P37059 1/20 0.55
CYP1A2 P05177 1/20 0.54
HSP90AA1 P07900 1/20 0.54
HSP90AB1 P08238 1/20 0.54
BLM P54132 1/20 0.54
KDM4E B2RXH2 1/20 0.52
POLB P06746 1/20 0.52
ALOX5 P09917 2/20 0.52
NFKB1 P19838 1/20 0.52
STAT3 P40763 1/20 0.52
NFKB2 Q00653 1/20 0.52
RELA Q04206 1/20 0.52
CTNNB1 P35222 2/20 0.51

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
SCHEMBL4545341 0.90 SLC22A6 (0.64) SLC22A6SLC22A8MEN1RAB9AKMT2A
SCHEMBL29595420 0.90 SLC22A6 (0.64) SLC22A6SLC22A8MEN1RAB9AKMT2A
SCHEMBL26141260 0.88 KDM4E (0.60) SLC22A6SLC22A8MEN1RAB9AKMT2A
SCHEMBL22390229 0.86 CYP1A2 (0.59) SLC22A6SLC22A8MEN1RAB9AKMT2A
SCHEMBL28541651 0.85 CYP1A2 (0.61) SLC22A6SLC22A8MEN1RAB9AKMT2A
SCHEMBL14495131 0.85 SLC22A6 (0.57) SLC22A6SLC22A8MEN1RAB9AKMT2A
SCHEMBL20476155 0.85 CYP1A2 (0.61) SLC22A6SLC22A8MEN1RAB9AKMT2A
SCHEMBL30266750 0.84 SLC22A6 (0.64) SLC22A6SLC22A8MEN1RAB9AKMT2A
SCHEMBL3811067 0.84 SLC22A6 (0.64) SLC22A6SLC22A8MEN1RAB9AKMT2A
Oxalic Acid SCHEMBL28535857 0.84 HTT (0.58) SLC22A6SLC22A8MEN1RAB9AKMT2A

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
US-20210289794-A1 COMPOSITIONS AND RELATED METHODS FOR AGRICULTURE FLAGSHIP PIONEERING INNOVATIONS V, INC. 2021-09-23 US disclosed
US-20210095265-A1 IN VITRO METHODS FOR PROCESSING LIGNIN AND OTHER AROMATIC COMPOUNDS WISCONSIN ALUMNI RESEARCH FOUNDATION (US) 2021-04-01 US disclosed
US-10829745-B2 In vitro methods for processing lignin and other aromatic compounds WISCONSIN ALUMNI RESEARCH FOUNDATION (US) 2020-11-10 US disclosed
US-20190048329-A1 ENZYMES AND METHODS FOR PROCESSING LIGNIN AND OTHER AROMATIC COMPOUNDS WISCONSIN ALUMNI RESEARCH FOUNDATION (US) 2019-02-14 US disclosed
EP-2616481-A2 BIOPRODUCTION OF AROMATIC CHEMICALS FROM LIGNIN-DERIVED COMPOUNDS Aligna Technologies, Inc. (US) 2013-07-24 EP disclosed
US-20130143304-A9 LIGF-TYPE SYSTEMS FOR BIOCONVERSION OF LIGNIN-DERIVED COMPOUNDS ALIGNA TECHNOLOGIES, INC. 2013-06-06 US disclosed
US-20120202257-A1 LIGE-TYPE ENZYMES FOR BIOCONVERSION OF LIGNIN-DERIVED COMPOUNDS ALIGNA TECHNOLOGIES, INC. 2012-08-09 US disclosed
US-20120202272-A1 LIGE-TYPE SYSTEMS FOR BIOCONVERSION OF LIGNIN-DERIVED COMPOUNDS ALIGNA TECHNOLOGIES, INC 2012-08-09 US disclosed
US-20120202258-A1 LIGE-TYPE TRANSFORMANTS FOR BIOCONVERSION OF LIGNIN-DERIVED COMPOUNDS ALIGNA TECHNOLOGIES, INC. 2012-08-09 US disclosed
US-20120196335-A1 LIGF-TYPE TRANSFORMANTS FOR BIOCONVERSION OF LIGNIN-DERIVED COMPOUNDS ALIGNA TECHNOLOGIES, INC. 2012-08-02 US disclosed
US-20120196353-A1 LIGF-TYPE SYSTEMS FOR BIOCONVERSION OF LIGNIN-DERIVED COMPOUNDS CHATTERJEE RANJINI (US) 2012-08-02 US disclosed
US-20120196334-A1 LIGF-TYPE ENZYMES FOR BIOCONVERSION OF LIGNIN-DERIVED COMPOUNDS ALIGNA TECHNOLOGIES, INC. 2012-08-02 US disclosed
WO-2012036884-A2 BIOPRODUCTION OF AROMATIC CHEMICALS FROM LIGNIN-DERIVED COMPOUNDS ALIGNA TECHNOLOGIES, INC. (US) 2012-03-22 WO disclosed