SCHEMBL9575302

SCHEMBL9575302

COC(=O)c1cccc2c(C(F)(F)F)c(OC)ccc12

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AKR1B10 O60218 1/20 0.61
AKR1A1 P14550 1/20 0.61
AKR1B1 P15121 1/20 0.61
PLK1 P53350 1/20 0.43
MAPT P10636 4/20 0.41
TSHR P16473 2/20 0.41
CDC25B P30305 2/20 0.41
GAA P10253 2/20 0.41
MAPK1 P28482 1/20 0.41
HSD17B10 Q99714 1/20 0.41
MRGPRX4 Q96LA9 1/20 0.40
LMNA P02545 3/20 0.40
HPGD P15428 3/20 0.40
KDM4E B2RXH2 3/20 0.40
PDK2 Q15119 1/20 0.40
ALDH1A1 P00352 2/20 0.40
MEN1 O00255 1/20 0.40
RECQL P46063 1/20 0.40
KMT2A Q03164 1/20 0.40
DHODH Q02127 1/20 0.40

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
SCHEMBL7089895 0.90 AKR1B10 (0.62) AKR1B10AKR1A1AKR1B1PLK1MAPT
SCHEMBL7113675 0.88 AKR1B10 (0.65) AKR1B10AKR1A1AKR1B1PLK1MAPT
Hydrochloric Acid SCHEMBL10417267 0.87 AKR1B10 (0.63) AKR1B10AKR1A1AKR1B1PLK1MAPT
SCHEMBL10415791 0.87 AKR1B10 (0.60) AKR1B10AKR1A1AKR1B1PLK1MAPT
SCHEMBL10417266 0.87 AKR1B10 (0.60) AKR1B10AKR1A1AKR1B1PLK1MAPT
SCHEMBL10529107 0.86 AKR1B10 (0.48) AKR1B10AKR1A1AKR1B1PLK1MAPT
SCHEMBL10416214 0.85 AKR1B10 (0.58) AKR1B10AKR1A1AKR1B1PLK1MAPT
SCHEMBL10417713 0.84 AKR1B10 (0.55) AKR1B10AKR1A1AKR1B1PLK1CDC25B
Acetic Acid Methyl Ester SCHEMBL9750460 0.84 PLK1 (0.57) AKR1B10AKR1A1AKR1B1PLK1MAPT
SCHEMBL10385487 0.83 AKR1B10 (0.63) AKR1B10AKR1A1AKR1B1PLK1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0281315-B1 (TRIFLUOROMETHYL) NAPHTHALENE RECOVERY PROCESS ETHYL CORPORATION (US) 1993-06-23 EP disclosed
EP-0199646-B1 PROCESS FOR PREPARING 6-ALKOXY-5-TRIFLUOROMETHYL-1-NAPHTOIC ACIDS AND NOVEL 1-CYANO-NAPHTALENE INTERMEDIATES ETHYL CORPORATION (US) 1991-09-11 EP disclosed
EP-0307519-B1 Perfluoroalkylation process ETHYL CORPORATION (US) 1991-04-17 EP disclosed
US-4946987-A Treatment for complications of diabetes AYERST, MCKENNA & HARRISON, INC. (CA) 1990-08-07 US disclosed
US-4824989-A TRIFLUOROMETHYLNAPHTHALENE FROM HALONAPHTHALENE AND TRIFLUOROACETATE ETHYL CORPORATION (US) 1989-04-25 US disclosed
US-4824988-A Process for recovering cuprous iodide catalyst used in synthesis of (trifluoromethyl)napthalenes ETHYL CORPORATION (US) 1989-04-25 US disclosed
US-4808748-A Trifluoromethylation process ETHYL CORPORATION (US) 1989-02-28 US disclosed
EP-0281315-A2 (Trifluoromethyl) naphthalene recovery process ETHYL CORPORATION (US) 1988-09-07 EP disclosed
US-4705882-A ALDOSE REDUCTASE INHIBITORS, ANTIDIABETIC AGENTS AYERST, MCKENNA & HARRISON, INC. (CA) 1987-11-10 US disclosed
EP-0199646-A2 Process for preparing 6-alkoxy-5-trifluoromethyl-1-naphtoic acids and novel 1-cyano-naphtalene intermediates ETHYL CORPORATION (US) 1986-10-29 EP disclosed
US-4600724-A ALDOSE REDUCTASE INHIBITOR, DIABETES AYERST, MCKENNA & HARRISON, INC. (CA) 1986-07-15 US disclosed
US-4590010-A Substituted naphthoic acid process ETHYL CORPORATION (US) 1986-05-20 US disclosed
US-4568693-A ANTIDIATBETIC AGENTS AYERST, MCKENNA & HARRISON, INC. (CA) 1986-02-04 US disclosed
EP-0059596-B1 N-NAPHTHOYLGLYCINE DERIVATIVES AYERST, MCKENNA AND HARRISON INC. (CA) 1985-04-24 EP disclosed
US-4499310-A 5-Methyl-1-(trifluoromethyl)-2-naphthalenol, process for its preparation and ethers thereof AYERST, MCKENNA & HARRISON, INC. (CA) 1985-02-12 US disclosed
US-4439617-A TREATING DIABETES, ENZYME INHIBITOR AYERST, MCKENNA & HARRISON INC. (CA) 1984-03-27 US disclosed
US-4408077-A 6-(Lower alkoxy)-5-(trifluoromethyl)-1-naphthalenecarboxaldehydes AYERST, MCKEENA & HARRISON, INC. (CA) 1983-10-04 US disclosed