SCHEMBL9827014

SCHEMBL9827014

COC(=O)c1cccc2c(I)c(OC)ccc12

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 3/20 0.47
MAPT P10636 3/20 0.47
GAA P10253 2/20 0.47
TSHR P16473 2/20 0.47
MAPK1 P28482 2/20 0.47
PLK1 P53350 1/20 0.45
KDM4E B2RXH2 4/20 0.44
ALDH1A1 P00352 2/20 0.44
CDC25B P30305 2/20 0.43
LMNA P02545 2/20 0.42
HPGD P15428 2/20 0.41
ESR1 P03372 1/20 0.41
ESR2 Q92731 1/20 0.41
DHODH Q02127 1/20 0.41
CFTR P13569 1/20 0.41
HPGDS O60760 1/20 0.41
BRD4 O60885 1/20 0.41
PKM P14618 1/20 0.41
ALOX15 P16050 1/20 0.41
KMT2A Q03164 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
SCHEMBL10527760 0.86 CDC25B (0.55) HSD17B10MAPTPLK1KDM4EALDH1A1
SCHEMBL30742694 0.82 PLK1 (0.56) HSD17B10MAPTGAATSHRMAPK1
SCHEMBL1027499 0.82 HSD17B10 (0.57) HSD17B10MAPTGAATSHRMAPK1
SCHEMBL4099121 0.82 PLK1 (0.56) HSD17B10MAPTGAATSHRMAPK1
SCHEMBL5770092 0.81 PLK1 (0.45) HSD17B10MAPTGAATSHRMAPK1
SCHEMBL9245114 0.81 PLK1 (0.45) HSD17B10MAPTGAATSHRMAPK1
SCHEMBL70429 0.81 LMNA (0.59) HSD17B10MAPTTSHRKDM4EALDH1A1
SCHEMBL10390867 0.79 KDM4E (0.41) HSD17B10MAPTGAATSHRMAPK1
SCHEMBL15565938 0.79 PDE5A (0.42) KDM4EALDH1A1
SCHEMBL15565940 0.79 PDE5A (0.42) KDM4EALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
US-4946987-A Treatment for complications of diabetes AYERST, MCKENNA & HARRISON, INC. (CA) 1990-08-07 US disclosed
US-4739100-A Process for preparing 6-(lower) alkoxy-1-naphthoic acids and the corresponding esters and use of this process for preparing 6-(lower) alkoxy-5-halo-1-naphthoic acids and the corresponding esters DELALANDE S.A. (FR) 1988-04-19 US 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
US-4562286-A Process for preparing methoxytrifluoromethylnaphthoic acid from dimethylnaphthalene OCCIDENTAL CHEMICAL CORPORATION (US) 1985-12-31 US disclosed
US-4560794-A Process for preparing methoxytrifluoromethylnaphthoic acid from methylnaphthoic acid OCCIDENTAL CHEMICAL CORPORATION (US) 1985-12-24 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
US-4391825-A ALDOSE REDUCTASE INHIBITORS, FOR TREATING DIABETIC COMPLICATIONS AYERST, MCKENNA & HARRISON INC. (CA) 1983-07-05 US disclosed
EP-0059596-A1 N-Naphthoylglycine derivatives AYERST, MCKENNA AND HARRISON INC. (CA) 1982-09-08 EP disclosed