SCHEMBL8299472

SCHEMBL8299472

O=C(O)CCOc1ccc(Oc2cnc3cc(Cl)ccc3n2)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.53
CYP1A2 P05177 3/20 0.53
CYP3A4 P08684 2/20 0.53
LMNA P02545 2/20 0.53
MAPT P10636 2/20 0.53
SMN1; SMN2 Q16637 2/20 0.53
TP53 P04637 2/20 0.53
HPGD P15428 2/20 0.53
NPSR1 Q6W5P4 2/20 0.53
ALOX15 P16050 1/20 0.53
NFKB1 P19838 1/20 0.53
HIF1A Q16665 1/20 0.53
GMNN O75496 1/20 0.53
APEX1 P27695 1/20 0.53
PMP22 Q01453 1/20 0.53
HTT P42858 7/20 0.51
L3MBTL1 Q9Y468 3/20 0.51
CYP2C19 P33261 2/20 0.45
CYP2C9 P11712 1/20 0.45
GLA P06280 1/20 0.44

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
SCHEMBL8881655 0.95 ALDH1A1 (0.58) ALDH1A1CYP1A2CYP3A4LMNAMAPT
SCHEMBL18579883 0.88 ALDH1A1 (0.55) ALDH1A1CYP1A2CYP3A4LMNAMAPT
SCHEMBL10847424 0.85 LMNA (0.50) ALDH1A1CYP1A2CYP3A4LMNAMAPT
SCHEMBL18580643 0.84 ALDH1A1 (0.54) ALDH1A1CYP1A2CYP3A4LMNAMAPT
SCHEMBL6963200 0.84 ALDH1A1 (0.49) ALDH1A1CYP1A2CYP3A4LMNAMAPT
SCHEMBL9410481 0.83 ALDH1A1 (0.55) ALDH1A1CYP1A2CYP3A4LMNAMAPT
SCHEMBL27259682 0.83 ALDH1A1 (0.60) ALDH1A1CYP1A2CYP3A4LMNAMAPT
SCHEMBL28376683 0.83 ALDH1A1 (0.53) ALDH1A1CYP1A2CYP3A4LMNAMAPT
SCHEMBL29652002 0.83 ALDH1A1 (0.57) ALDH1A1CYP1A2CYP3A4LMNAMAPT
SCHEMBL17302643 0.83 ALDH1A1 (0.57) ALDH1A1CYP1A2CYP3A4LMNAMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5695773-A APPLYING ONTO PLANT A DILUENT AND A SOLUTION CONSISTING OF OXYNIL AND A HERBICIDE IN LIQUID STATE CFPI AGRO (FR) 1997-12-09 US claimed
US-5883044-A Herbicidal method utilizing phosphosulfonate herbicides and oxime ether safeners ROHM AND HAAS COMPANY (US) 1999-03-16 US disclosed
US-H1785-H PRE- AND POST-EMERGENCE HERBICIDE FMC CORPORATION (US) 1999-02-02 US disclosed
US-5866513-A Aryl-substituted cycloalkanes and cycloalkenes and herbicidal use thereof ROHM AND HAAS COMPANY (US) 1999-02-02 US disclosed
US-5861359-A WHEAT, SOYBEANS, CORN; PRE- AND POSTEMERGENCE HERBICIDES FMC CORPORATION (US) 1999-01-19 US disclosed
US-H1759-H NEW HERBICIDE MOLECULAR COMPRISING A RING SELECT FROM THE GROUP OF PYRIMIDINE, TRIAZOLE, PYRAZOLE, ISOINDOLE, THIADIAZOLO(3,4-A)PYRIDAZINE, TRIAZINE(1,2,4), INDAZOLE, TETRAZOLE, TRIAZOLE(4,3-A)PYRIDINE FMC CORPORATION (US) 1998-11-03 US disclosed
US-5798316-A GRASS OR BROADLEAF CONTROLLING AGENTS FMC CORPORATION 1998-08-25 US disclosed
US-5753595-A Herbicidal 3-(substituted benzoxazol-7-yl) and 3-(Substituted benzothiazol-7-yl)-1-substituted-6-trifluoromethyl-2 4-(1h 3h)pyrimidinediones FMC CORPORATION (US) 1998-05-19 US disclosed
US-5733849-A Halopyridyl triazolinone herbicides and herbicidal use thereof ROHM AND HAAS COMPANY (US) 1998-03-31 US disclosed
US-5726124-A IN MIXTURE WITH OTHER HERBICIDES, ALKYLATION AND ETHERIFICATION OF PYRIMIDINONE AND THIOPYRIMIDINONE COMPOUNDS ROHM AND HAAS COMPANY (US) 1998-03-10 US disclosed
US-5703008-A Pyrazolines for protecting crop plants against herbicides HOECHST AKTIENGESELLSCHAFT (DE) 1997-12-30 US disclosed
US-5700758-A APPLYING TO SAFEN PLANTS AGAINST PHOTOTOXICITY HOECHST AKTIENGESELLSCHAFT (DE) 1997-12-23 US disclosed
US-5696119-A SOLID TUMORS, LEUKEMIA THE DUPONT MERCK PHARMACEUTICAL COMPANY (US) 1997-12-09 US disclosed
US-5696056-A POSTEMERGENCE AND PREEMERGENCE HERBICIDES; POTENTIATION MITSUBISHI CHEMICAL CORPORATION (JP) 1997-12-09 US disclosed
US-5695773-A APPLYING ONTO PLANT A DILUENT AND A SOLUTION CONSISTING OF OXYNIL AND A HERBICIDE IN LIQUID STATE CFPI AGRO (FR) 1997-12-09 US disclosed
US-5693590-A PLANT GROWTH REGULATOR ROHM AND HAAS COMPANY (US) 1997-12-02 US disclosed
US-5683966-A Herbicidal 3-(substituted-benzyl)-1-methyl-6-trifluoromethyluracils FMC CORPORATION (US) 1997-11-04 US disclosed
US-5674810-A MIXTURE OF TWO HERBICIDES WITH DIFFERENT STRUCTURES, CARRIER FMC CORPORATION (US) 1997-10-07 US disclosed
US-5510318-A Herbicidal oxazine ethers E. I. DU PONT DE NEMOURS AND COMPANY (US) 1996-04-23 US disclosed
US-5502027-A ALGICIDES ROHM AND HAAS COMPANY (US) 1996-03-26 US disclosed