SCHEMBL1421316

SCHEMBL1421316

O=C(O)c1ccc(O)c(CN2CCOCC2)c1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTSB P07858 1/20 0.59
CYP2C9 P11712 2/20 0.53
ALOX15 P16050 1/20 0.53
HSD17B10 Q99714 1/20 0.53
GAA P10253 2/20 0.52
POLB P06746 2/20 0.52
CYP3A4 P08684 1/20 0.50
CYP2D6 P10635 1/20 0.50
CYP2C19 P33261 1/20 0.50
HTT P42858 1/20 0.48
HDAC1 Q13547 1/20 0.47
KDM5A P29375 1/20 0.47
KDM5B Q9UGL1 1/20 0.47
KDM4E B2RXH2 3/20 0.47
MAPT P10636 1/20 0.47
BACE1 P56817 1/20 0.47
PKM P14618 1/20 0.46
KMO O15229 1/20 0.46
HIF1A Q16665 1/20 0.45
EPAS1 Q99814 1/20 0.45

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
Water SCHEMBL1285922 0.99 CTSB (0.58) CTSBCYP2C9ALOX15HSD17B10GAA
SCHEMBL4819066 0.90 CTSB (0.60) CTSBCYP2C9ALOX15HSD17B10GAA
SCHEMBL5717835 0.87 CTSB (0.58) CTSBCYP2C9ALOX15HSD17B10GAA
SCHEMBL4909115 0.84 CYP2A13 (0.55) CYP2C9ALOX15HSD17B10POLBCYP3A4
SCHEMBL20496783 0.84 CNR2 (0.56) CYP2C9ALOX15HSD17B10POLBCYP3A4
SCHEMBL20496757 0.84 CYP2A13 (0.55) CYP2C9ALOX15HSD17B10POLBCYP3A4
SCHEMBL1421327 0.83 SMN1; SMN2 (0.55) CTSBCYP2C9ALOX15HSD17B10GAA
Hydrochloric Acid SCHEMBL11621047 0.83 MAPT (0.48) CTSBCYP2C9ALOX15HSD17B10POLB
Hydrochloric Acid SCHEMBL27831975 0.82 SMN1; SMN2 (0.54) CTSBCYP2C9ALOX15HSD17B10GAA
SCHEMBL13338345 0.81 CTSB (0.54) CTSBCYP2C9ALOX15HSD17B10GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1840470-B Improved process for treating gases containing hydrogen sulphide and sulphur dioxide INST FRANCAIS DU PETROLE 2012-05-30 CN claimed
EP-1700631-B1 Improved process for treating gases containing hydrogen sulfur and sulfur dioxide INST FRANCAIS DU PETROLE (FR) 2010-06-30 EP claimed
US-7597872-B2 catalytic system, comprising a compound containing at least one functional group A consisting of a carboxylic acid function and at least one functional group B comprising a nitrogen atom and which can produce an acid-base type type reaction with A type functional group, soluble in alcoholic solvent INSTITUT FRANCAIS DU PETROLE (FR) 2009-10-06 US claimed
CN-1840470-A Improved process for treating gases containing hydrogen sulfur and sulfur dioxide INST FRANCAIS DU PETROLE (FR) 2006-10-04 CN claimed
US-20060204433-A1 Process for treating a gas containing hydrogen sulphide and sulphur dioxide INSTITUT FRANCAIS DU DETROLE (FR) 2006-09-14 US claimed
EP-2778156-B1 Phenoxypyridinylamide derivatives and their use in the treatment of PDE4 mediated disease states ASTRAZENECA AB (SE) 2016-11-30 EP disclosed
EP-2778156-A1 Phenoxypyridinylamide derivatives and their use in the treatment of PDE4 mediated disease states AstraZeneca AB (Publ) (SE) 2014-09-17 EP disclosed
CN-102105448-B Phenoxypyridinylamide derivatives and use thereof in the treatment of PDE4 mediated disease states ASTRAZENECA AB 2013-11-13 CN disclosed
US-8273774-B2 Phenoxypyridinylamide compounds ASTRAZENECA AB (SE) 2012-09-25 US disclosed
CN-1840470-B Improved process for treating gases containing hydrogen sulphide and sulphur dioxide INST FRANCAIS DU PETROLE 2012-05-30 CN disclosed
US-7973079-B2 Methods and compounds for treating retinol-related diseases REVISION THERAPEUTICS, INC. (US) 2011-07-05 US disclosed
CN-102105448-A Phenoxypyridinylamide derivatives and their use in the treatment of PDE4 mediated disease states ASTRAZENECA AB 2011-06-22 CN disclosed
US-6232342-B1 CATHEPSIN K INHIBITOR FOR TREATING OSTEOPOROSIS, GINGIVITIS, PERIODONTITIS, ARTHRITIS, OSTEOARTHRITIS RHEUMATOID ARTHRITIS, PAGET'S DISEASE, HYPERCALCEMIA OF MALIGNANCY AND METABOLIC BONE DISEASES SMITHKLINE BEECHAM CORPORATION 2001-05-15 US disclosed
WO-2000025768-A1 OXADIAZOLE, THIADIAZOLE AND TRIAZOLE DERIVATIVES AND COMBINATORIAL LIBRARIES THEREOF TREGA BIOSCIENCES, INC. (US) 2000-05-11 WO disclosed
US-6057362-A Protease inhibitors SMITHKLINE BEECHAM CORPORATION (US) 2000-05-02 US disclosed
US-5998470-A Protease inhibitors SMITHKLINE BEECHAM CORPORATION (US) 1999-12-07 US disclosed
EP-0934291-A4 SMITHKLINE BEECHAM CORP (US) 1999-08-11 EP disclosed
EP-0934291-A1 PROTEASE INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 1999-08-11 EP disclosed
CN-1207095-A Protease inhibitors SMITHKLINE BEECHAM CORP (US) 1999-02-03 CN disclosed
WO-1997016433-A1 PROTEASE INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 1997-05-09 WO disclosed