SCHEMBL1030936

SCHEMBL1030936

CC(O)C(O)c1ccccc1[N+](=O)[O-]

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.54
CYP1A2 P05177 3/20 0.51
TSHR P16473 1/20 0.49
CYP3A4 P08684 2/20 0.48
CYP2D6 P10635 2/20 0.48
SLC6A2 P23975 1/20 0.48
SLC6A4 P31645 1/20 0.48
SLC6A3 Q01959 1/20 0.48
KCNH2 Q12809 1/20 0.48
HSD17B10 Q99714 1/20 0.47
TDP1 Q9NUW8 6/20 0.44
GPR35 Q9HC97 1/20 0.44
MAPT P10636 4/20 0.42
CDK5 Q00535 1/20 0.42
CDK5R1 Q15078 1/20 0.42
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
GLA P06280 1/20 0.41
POLB P06746 1/20 0.41
CYP2C9 P11712 1/20 0.41

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
SCHEMBL3697952 0.90 CYP1A2 (0.59) ALDH1A1CYP1A2TSHRCYP3A4CYP2D6
SCHEMBL888327 0.89 ALDH1A1 (0.54) ALDH1A1CYP1A2TSHRCYP3A4CYP2D6
SCHEMBL1666369 0.89 ALDH1A1 (0.54) ALDH1A1CYP1A2TSHRCYP3A4CYP2D6
SCHEMBL10178321 0.89 ALDH1A1 (0.54) ALDH1A1CYP1A2TSHRCYP3A4CYP2D6
SCHEMBL888202 0.85 ALDH1A1 (0.57) ALDH1A1CYP1A2TSHRCYP3A4CYP2D6
SCHEMBL889733 0.85 ALDH1A1 (0.57) ALDH1A1CYP1A2TSHRCYP3A4CYP2D6
SCHEMBL2065608 0.85 ALDH1A1 (0.57) ALDH1A1CYP1A2TSHRCYP3A4CYP2D6
SCHEMBL6256628 0.85 ALDH1A1 (0.57) ALDH1A1CYP1A2TSHRCYP3A4CYP2D6
SCHEMBL31146698 0.85 ALDH1A1 (0.57) ALDH1A1CYP1A2TSHRCYP3A4CYP2D6
Methyl Alcohol SCHEMBL6832436 0.83 ALDH1A1 (0.56) ALDH1A1CYP1A2TSHRCYP3A4CYP2D6

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-0981646-B1 ENZYMATIC DNA MOLECULES SCRIPPS RESEARCH INST (US) 2016-01-06 EP disclosed
EP-2275546-A2 Enzymatic DNA molecules The Scripps Research Institute (US) 2011-01-19 EP disclosed
US-7807817-B2 Enzymatic nucleic acid molecules THE SCRIPPS RESEARCH INSTITUTE (US) 2010-10-05 US disclosed
US-20070219365-A1 ENZYMATIC NUCLEIC ACID MOLECULES THE SCRIPPS RESEARCH INSTITUTE (US) 2007-09-20 US disclosed
EP-0792375-B9 ENZYMATIC DNA MOLECULES SCRIPPS RESEARCH INST (US) 2006-12-13 EP disclosed
US-7141665-B1 Enzymatic DNA molecules THE SCRIPPS RESEARCH INSTITUTE (US) 2006-11-28 US disclosed
EP-1700915-A2 Enzymatic DNA molecules THE SCRIPPS RESEARCH INSTITUTE (US) 2006-09-13 EP disclosed
EP-0792375-B1 ENZYMATIC DNA MOLECULES SCRIPPS RESEARCH INST (US) 2006-03-08 EP disclosed
US-6326174-B1 ISOLATING CATALYTIC NUCLEIC ACIDS; OBTAIN SINGLE STRANDED NUCLEOTIDE SEQUENCES, MIX WITH SUBSTRATE, SEPARATE SINGLE-STRANDED NUCLEOTIDE SEQUENCES, RECOVER CATALYTIC SINGLE STRANDED NUCLEOTIDE SEQUENCES THE SCRIPPS RESEARCH INSTITUTE 2001-12-04 US disclosed
WO-2000052192-A1 ENZYMATIC DNA MOLECULES THAT CONTAIN MODIFIED NUCLEOTIDES THE SCRIPPS RESEARCH INSTITUTE (US) 2000-09-08 WO disclosed
US-6110462-A NUCLEOTIDE CATALYSTS THE SCRIPPS RESEARCH INSTITUTE (US) 2000-08-29 US disclosed
US-5807718-A RIBONUCLEIC ACID(RNA) CLEAVAGE; DEPHOSPORIZATION; GENETIC ENGINEERING; CATALYSIS THE SCRIPPS RESEARCH INSTITUTE (US) 1998-09-15 US disclosed
EP-0792375-A1 ENZYMATIC DNA MOLECULES THE SCRIPPS RESEARCH INSTITUTE (US) 1997-09-03 EP disclosed
WO-1996017086-A9 ENZYMATIC DNA MOLECULES 1996-08-15 WO disclosed
WO-1996017086-A1 ENZYMATIC DNA MOLECULES THE SCRIPPS RESEARCH INSTITUTE (US) 1996-06-06 WO disclosed