SCHEMBL27403294

SCHEMBL27403294

O=C(O)c1ccco1.c1ccc2c(c1)ccc1c3c(ccc12)CCCC3

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.45
TSHR P16473 3/20 0.45
KMT2A Q03164 7/20 0.44
HSD17B10 Q99714 5/20 0.44
KDM4E B2RXH2 4/20 0.40
LMNA P02545 3/20 0.40
MAPT P10636 5/20 0.40
HPGD P15428 3/20 0.40
GLA P06280 2/20 0.40
HTT P42858 2/20 0.40
TDP1 Q9NUW8 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
NQO1 P15559 3/20 0.39
MEN1 O00255 4/20 0.38
TP53 P04637 2/20 0.38
NPC1 O15118 2/20 0.38
RAB9A P51151 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
USP2 O75604 1/20 0.38
GAA P10253 2/20 0.38

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
Ammonia Solution, Strong SCHEMBL28117799 0.99 ALDH1A1 (0.44) ALDH1A1TSHRKMT2AHSD17B10KDM4E
Benzylamine SCHEMBL28122285 0.93 ALDH1A1 (0.43) ALDH1A1TSHRKMT2AHSD17B10KDM4E
Dimethylformamide SCHEMBL27921306 0.92 ALDH1A1 (0.39) ALDH1A1TSHRKMT2AHSD17B10KDM4E
SCHEMBL27707142 0.89 ALDH1A1 (0.44) ALDH1A1TSHRKMT2AHSD17B10KDM4E
SCHEMBL27389344 0.89 ALDH1A1 (0.44) ALDH1A1TSHRKMT2AHSD17B10KDM4E
SCHEMBL28783852 0.89 ALDH1A1 (0.44) ALDH1A1TSHRKMT2AHSD17B10KDM4E
SCHEMBL28056171 0.87 HPGD (0.47) ALDH1A1TSHRHSD17B10KDM4ELMNA
Sulfuric Acid SCHEMBL29065821 0.85 ALDH1A1 (0.41) ALDH1A1TSHRKMT2AHSD17B10KDM4E
Bicarbonate SCHEMBL27702695 0.84 HPRT1 (0.45) ALDH1A1MAPTHPGDNQO1WDR5
Phthalic Acid SCHEMBL27274659 0.83 NR4A1 (0.49) ALDH1A1KDM4ELMNAMAPTHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-103339090-B Solvolysis of biomass using solvent from a bioreforming process 维仁特公司 2017-02-15 CN claimed
CN-103298770-B Organic catalysis degradation biological matter 维仁特公司 2016-09-07 CN claimed
CN-103501780-A Novel benzofurane-piperidine compounds HOFFMANN LA ROCHE 2014-01-08 CN claimed
CN-101679874-B Synthesis of liquid fuels and chemicals from oxygenated hydrocarbons VIRENT ENERGY SYSTEMS INC 2013-10-23 CN claimed
CN-103339090-A Solvolysis of biomass using solvent from a bioreforming process VIRENT INC 2013-10-02 CN claimed
CN-103313955-A Reductive biomass liquefaction VIRENT INC 2013-09-18 CN claimed
CN-103298770-A Organo-catalytic biomass deconstruction VIRENT INC 2013-09-11 CN claimed
CN-103261190-A Novel benzofurane compounds HOFFMANN LA ROCHE 2013-08-21 CN claimed
CN-102958936-A Anellated pyridine compounds HOFFMANN LA ROCHE 2013-03-06 CN claimed
CN-101535258-B ether derivatives dual modulators of the 5HT2A and D3 receptors HOFFMANN LA ROCHE 2012-12-05 CN claimed
CN-101687859-A Process for the preparation of alfuzosin and salts thereof ACTAVIS GROUP PTC EHF 2010-03-31 CN claimed
CN-101679874-A By oxygenated hydrocarbon synthetic liquid fuel and chemical VIRENT ENERGY SYSTEMS INC 2010-03-24 CN claimed
CN-101535258-A Ether derivatives dual modulators of the 5HT2A and D3 receptors HOFFMANN LA ROCHE (CH) 2009-09-16 CN claimed
CN-101223141-A Certain substituted amides, method of making, and method of use thereof CGI PHARMACEUTICALS INC (US) 2008-07-16 CN claimed
CN-101035758-A Phenyl derivatives and methods of use thereof ADOLOR CORP (US) 2007-09-12 CN claimed
CN-101001860-A Heterocyclic antiviral compounds ROCHE PALO ALTO LLC (CH) 2007-07-18 CN claimed
CN-1856490-A Benzimidazole, benzothiazole and benzoxazole derivatives and their use as LTA4H modulators JANSSEN PHARMACEUTICA NV (BE) 2006-11-01 CN claimed
CN-1350458-A Protease inhibitors SMITHKLINE BEECHAM CORP (US) 2002-05-22 CN claimed
CN-1086211-A N-pyrrole derivative insecticide, miticide and mollusk kill agent AMERICAN CYANAMID CO (US) 1994-05-04 CN claimed
CN-1077960-A HEMOREGULATORY PEPTIDES SMITHKLINE BEECHAM CORP (US) 1993-11-03 CN claimed