SCHEMBL413193

SCHEMBL413193

O=C(c1ccc(CO)cc1)c1ccc([N+](=O)[O-])cc1

nearest known ligand 0.65

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SRD5A2 P31213 2/20 0.65
LMNA P02545 1/20 0.62
GAA P10253 1/20 0.62
L3MBTL1 Q9Y468 1/20 0.61
MAPK1 P28482 2/20 0.59
POLB P06746 1/20 0.59
CES1 P23141 2/20 0.57
TSHR P16473 2/20 0.56
TDP1 Q9NUW8 2/20 0.56
ALDH1A1 P00352 2/20 0.56
MAPT P10636 1/20 0.56
CA1 P00915 3/20 0.55
CA2 P00918 3/20 0.55
GSK3B P49841 1/20 0.53
CA12 O43570 1/20 0.53
CA9 Q16790 1/20 0.53
CA14 Q9ULX7 1/20 0.53
LOXL2 Q9Y4K0 1/20 0.50
CES2 O00748 1/20 0.50

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
Benzyl Alcohol SCHEMBL27594782 0.90 POLB (0.66) SRD5A2LMNAGAAL3MBTL1MAPK1
Paranitrobenzyl Alcohol SCHEMBL114620 0.88 TSHR (0.69) POLBCES1TSHRALDH1A1CA1
SCHEMBL8095914 0.87 SRD5A2 (0.67) SRD5A2LMNAGAAL3MBTL1MAPK1
SCHEMBL8094269 0.87 SRD5A2 (0.67) SRD5A2LMNAGAAL3MBTL1MAPK1
SCHEMBL8094198 0.87 SRD5A2 (0.67) SRD5A2LMNAGAAL3MBTL1MAPK1
SCHEMBL9018930 0.87 SRD5A2 (0.67) SRD5A2LMNAGAAL3MBTL1MAPK1
SCHEMBL8094425 0.87 SRD5A2 (0.67) SRD5A2LMNAGAAL3MBTL1MAPK1
SCHEMBL975118 0.86 SRD5A2 (0.83) SRD5A2LMNAGAAL3MBTL1MAPK1
SCHEMBL10723714 0.86 SRD5A2 (0.83) SRD5A2LMNAGAAL3MBTL1MAPK1
SCHEMBL28257636 0.85 SRD5A2 (0.65) SRD5A2LMNAGAAL3MBTL1MAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2403825-B1 CHEMICAL AGENTS CAPABLE OF FORMING COVALENT 3-D NETWORKS OXFORD ADVANCED SURFACES LTD (GB) 2019-09-11 EP disclosed
US-9193678-B2 Chemical agents capable of forming covalent 3-D networks OXFORD ADVANCED SURFACES LTD (GB) 2015-11-24 US disclosed
US-20120021223-A1 CHEMICAL AGENTS CAPABLE OF FORMING COVALENT 3-D NETWORKS OXFORD ADVANCED SURFACES LTD. (GB) 2012-01-26 US disclosed
EP-2403825-A1 CHEMICAL AGENTS CAPABLE OF FORMING COVALENT 3-D NETWORKS Oxford Advanced Surfaces Ltd (GB) 2012-01-11 EP disclosed
WO-2010100413-A2 CROSS-LINKABLE POLYMERS OXFORD ADVANCED SURFACES LTD (GB) 2010-09-10 WO disclosed
WO-2010100410-A1 CHEMICAL AGENTS CAPABLE OF FORMING COVALENT 3-D NETWORKS OXFORD ADVANCED SURFACES LTD (GB) 2010-09-10 WO disclosed