SCHEMBL9806312

SCHEMBL9806312

COc1ccc2c(C(=O)O)cccc2c1C(F)(F)C(F)(F)F

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AKR1B10 O60218 1/20 0.53
AKR1A1 P14550 1/20 0.53
AKR1B1 P15121 1/20 0.53
CDC25B P30305 3/20 0.49
KDM4E B2RXH2 3/20 0.43
ALDH1A1 P00352 3/20 0.43
HPGD P15428 3/20 0.43
HSD17B10 Q99714 1/20 0.43
CYP2C9 P11712 1/20 0.43
HIF1A Q16665 1/20 0.43
NR4A1 P22736 1/20 0.42
NR4A2 P43354 1/20 0.42
NR4A3 Q92570 1/20 0.42
HTT P42858 1/20 0.41
FABP4 P15090 2/20 0.40
FABP3 P05413 1/20 0.39
FABP5 Q01469 1/20 0.39
CA12 O43570 1/20 0.39
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39

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
SCHEMBL10530129 0.92 AKR1B10 (0.51) AKR1B10AKR1A1AKR1B1CDC25BKDM4E
SCHEMBL10531806 0.90 AKR1B10 (0.49) AKR1B10AKR1A1AKR1B1CDC25BKDM4E
SCHEMBL7113675 0.89 AKR1B10 (0.65) AKR1B10AKR1A1AKR1B1CDC25BKDM4E
Hydrochloric Acid SCHEMBL10417267 0.87 AKR1B10 (0.63) AKR1B10AKR1A1AKR1B1CDC25BKDM4E
SCHEMBL9800783 0.84 AKR1B10 (0.57) AKR1B10AKR1A1AKR1B1CDC25BKDM4E
SCHEMBL10527732 0.82 AKR1B10 (0.67) AKR1B10AKR1A1AKR1B1CDC25BALDH1A1
SCHEMBL10527714 0.80 AKR1B10 (0.84) AKR1B10AKR1A1AKR1B1CDC25BALDH1A1
SCHEMBL7089895 0.78 AKR1B10 (0.62) AKR1B10AKR1A1AKR1B1CDC25BHPGD
SCHEMBL10529107 0.78 AKR1B10 (0.48) AKR1B10AKR1A1AKR1B1CDC25BKDM4E
SCHEMBL5771713 0.78 CDC25B (0.55) AKR1B10AKR1A1AKR1B1CDC25BKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0307519-B1 Perfluoroalkylation process ETHYL CORPORATION (US) 1991-04-17 EP disclosed
US-4889951-A Perfluoroalkylation process ETHYL CORPORATION (US) 1989-12-26 US disclosed
US-4822904-A Perfluoroalkylation process ETHYL CORPORATION (US) 1989-04-18 US disclosed
EP-0182499-B1 N-(6-METHOXY-5-(PERFLUOROALKYL)-1-NAPHTOLYL)-N-METYLGLYCINES AND THEIR THIONAPHTHOYL ANALOGS AYERST, MCKENNA AND HARRISON INC. (CA) 1989-04-12 EP disclosed
EP-0307519-A1 Perfluoroalkylation process ETHYL CORPORATION (US) 1989-03-22 EP disclosed
EP-0304521-A1 Perfluoroalkylnaphthalene compounds their preparation and use ETHYL CORPORATION (US) 1989-03-01 EP disclosed
US-4699993-A Perfluoroalkylnaphthalene compounds ETHYL CORPORATION (US) 1987-10-13 US disclosed
US-4604406-A ALDOSE REDUCTASE INHIBITORS AYERST, MCKENNA & HARRISON, INC. (CA) 1986-08-05 US disclosed
EP-0182499-A1 N-(6-methoxy-5-(perfluoroalkyl)-1-naphtolyl)-N-metylglycines and their thionaphthoyl analogs AYERST, MCKENNA AND HARRISON INC. (CA) 1986-05-28 EP disclosed