SCHEMBL987799

SCHEMBL987799

O=C(O)OC1(O)c2ccccc2-c2ccccc21

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
THRB P10828 1/20 0.55
TDP1 Q9NUW8 1/20 0.55
APEX1 P27695 1/20 0.44
PDK2 Q15119 12/20 0.42
ALDH1A1 P00352 3/20 0.39
HSP90AA1 P07900 1/20 0.39
HSP90AB1 P08238 1/20 0.39
MAPT P10636 1/20 0.39
ITGA4 P13612 1/20 0.39
KMT2A Q03164 1/20 0.38
CA1 P00915 1/20 0.37
CA2 P00918 1/20 0.37
TSHR P16473 1/20 0.37
ALOX12 P18054 1/20 0.37
MAPK1 P28482 1/20 0.37
CASP1 P29466 1/20 0.37
CA7 P43166 1/20 0.37
RECQL P46063 1/20 0.37
BACE1 P56817 1/20 0.37
CA9 Q16790 1/20 0.37

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
SCHEMBL9075500 0.85 PDK2 (0.51) THRBTDP1PDK2HSP90AA1
SCHEMBL27603459 0.82 THRB (0.48) THRBTDP1APEX1PDK2ALDH1A1
SCHEMBL3524770 0.79 ALDH1A1 (0.46) THRBTDP1PDK2ALDH1A1MAPT
SCHEMBL3641456 0.79 ALOX5 (0.39) THRBTDP1KMT2A
SCHEMBL3633870 0.78 THRB (0.48) THRBTDP1APEX1PDK2ALDH1A1
SCHEMBL28089194 0.78 THRB (0.48) THRBTDP1APEX1PDK2ALDH1A1
SCHEMBL16137604 0.77 THRB (0.44) THRBTDP1APEX1PDK2ALDH1A1
SCHEMBL996855 0.76 THRB (0.43) THRBTDP1APEX1PDK2ALDH1A1
SCHEMBL996856 0.74 THRB (0.42) THRBTDP1APEX1PDK2ALDH1A1
SCHEMBL18879390 0.73 PDK2 (0.48) THRBTDP1APEX1PDK2ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2097464-B1 POLYAMIDE POLYOLS AND POLYURETHANES, METHODS FOR MAKING AND USING, AND PRODUCTS MADE THEREFROM ARIZONA CHEM (US) 2013-09-11 EP claimed
EP-1217884-B1 METHOD FOR MATURATION OF CONIFER SOMATIC EMBRYOS WOODY PLANT BIOTECH APS (DK) 2007-02-21 EP claimed
EP-1453377-A1 HERBICIDES BASED ON SUBSTITUTED CARBOXYLIC ACID ANILIDES Bayer CropScience AG (DE) 2004-09-08 EP claimed
EP-1429612-A1 HERBICIDES CONTAINING SUBSTITUTED THIEN-3-YL-SULFONYLAMINO(THIO)CARBONYL-TRIAZOLIN(THI)ONE Bayer CropScience AG (DE) 2004-06-23 EP claimed
EP-1423009-A2 HERBICIDES MADE FROM SUBSTITUTED ARYL KETONES Bayer CropScience AG (DE) 2004-06-02 EP claimed
EP-1372395-A1 HERBICIDES BASED ON SUBSTITUTED ARYL KETONES Bayer CropScience AG (DE) 2004-01-02 EP claimed
EP-1351571-A2 SELECTIVE HERBICIDES BASED UPON 2,6-DISUBSTITUTED PYRIDINE DERIVATIVES Bayer CropScience AG (DE) 2003-10-15 EP claimed
WO-2003047346-A1 HERBICIDES BASED ON SUBSTITUTED CARBOXYLIC ACID ANILIDES BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2003-06-12 WO claimed
EP-0919867-B1 Chemically amplified resist for electron beam lithography INFINEON TECHNOLOGIES AG (DE) 2003-05-21 EP claimed
WO-2003026426-A1 HERBICIDES CONTAINING SUBSTITUTED THIEN-3-YL-SULFONYLAMINO(THIO)CARBONYL-TRIAZOLIN(THI)ONE BAYER CROPSCIENCE AG (DE) 2003-04-03 WO claimed
EP-1233672-A2 SYNERGISTIC HERBICIDAL ACTIVE SUBSTANCE COMBINATIONS Bayer Aktiengesellschaft (DE) 2002-08-28 EP claimed
EP-1221848-A1 SELECTIVE HERBICIDES ON THE BASIS OF N-ARYL-TRIAZOLINE(THI)ONES Bayer Aktiengesellschaft (DE) 2002-07-17 EP claimed
WO-2001042860-A1 CREATION OF RESIST STRUCTURES INFINEON TECHNOLOGIES AG (DE) 2001-06-14 WO claimed
WO-2001039597-A2 N-ARYL-URACILE-BASED HERBICIDES BAYER AKTIENGESELLSCHAFT (DE) 2001-06-07 WO claimed
WO-2001035740-A2 SELECTIVE HERBICIDES BASED UPON 2,6-DISUBSTITUTED PYRIDINE DERIVATIVES BAYER AKTIENGESELLSCHAFT (DE) 2001-05-25 WO claimed
WO-2001035741-A2 SYNERGISTIC HERBICIDAL ACTIVE SUBSTANCE COMBINATIONS BAYER AKTIENGESELLSCHAFT (DE) 2001-05-25 WO claimed
WO-2001022819-A1 SELECTIVE HERBICIDES ON THE BASIS OF N-ARYL-TRIAZOLINE(THI)ONES BAYER AKTIENGESELLSCHAFT (DE) 2001-04-05 WO claimed
EP-0929221-A1 SELECTIVE HERBICIDES BASED ON ARYLSULPHONYLAMINOCARBONYLTRIAZOLINONES BAYER AG (DE) 1999-07-21 EP claimed
EP-0919867-A2 Chemically amplified resist for electron beam lithography SIEMENS AKTIENGESELLSCHAFT (DE) 1999-06-02 EP claimed
WO-1998012923-A1 SELECTIVE HERBICIDES BASED ON ARYLSULPHONYLAMINOCARBONYLTRIAZOLINONES BAYER AKTIENGESELLSCHAFT (DE) 1998-04-02 WO claimed