SCHEMBL9489666

SCHEMBL9489666

COc1ccc2c(C)cccc2c1C(F)(F)F

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AKR1B10 O60218 1/20 0.48
AKR1A1 P14550 1/20 0.48
AKR1B1 P15121 1/20 0.48
CYP1A2 P05177 2/20 0.45
CYP2A6 P11509 2/20 0.45
ALDH1A1 P00352 3/20 0.36
HPGD P15428 2/20 0.36
HSD17B10 Q99714 1/20 0.36
NR3C1 P04150 2/20 0.35
PGR P06401 2/20 0.35
NR3C2 P08235 2/20 0.35
IDO1 P14902 1/20 0.34
MAPT P10636 1/20 0.34
NQO2 P16083 2/20 0.34
CYP19A1 P11511 1/20 0.34
KDM4E B2RXH2 1/20 0.33
EP300 Q09472 1/20 0.33
KAT8 Q9H7Z6 1/20 0.33
AR P10275 1/20 0.33
NR1H2 P55055 1/20 0.33

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
SCHEMBL10677181 0.81 IDO1 (0.53) AKR1B10AKR1A1AKR1B1CYP1A2ALDH1A1
SCHEMBL16952213 0.80 CA1 (0.42) CYP1A2ALDH1A1HPGDHSD17B10MAPT
SCHEMBL7089898 0.78 AKR1B10 (0.47) AKR1B10AKR1A1AKR1B1CYP1A2ALDH1A1
SCHEMBL9575279 0.78 IMPDH2 (0.57) AKR1B10AKR1A1AKR1B1ALDH1A1NR3C1
SCHEMBL7089895 0.78 AKR1B10 (0.62) AKR1B10AKR1A1AKR1B1HPGDMAPT
SCHEMBL9007508 0.78 AKR1B10 (0.47) AKR1B10AKR1A1AKR1B1ALDH1A1HPGD
SCHEMBL9491139 0.77 AKR1B10 (0.40) AKR1B10AKR1A1AKR1B1CYP1A2ALDH1A1
SCHEMBL12506928 0.77 CYP1A2 (0.50) CYP1A2CYP2A6ALDH1A1NR3C1PGR
SCHEMBL5254383 0.77 CYP1A2 (0.50) CYP1A2CYP2A6ALDH1A1HPGDHSD17B10
SCHEMBL9575302 0.76 AKR1B10 (0.61) AKR1B10AKR1A1AKR1B1ALDH1A1HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 claimed
EP-0322256-B1 N-ACYL-N-NAPHTHOYLGLYCINES AS ALDOSE REDUCTASE INHIBITORS AMERICAN HOME PRODUCTS CORPORATION (US) 1993-03-24 EP disclosed
EP-0322255-B1 N-ACYL-N-NAPHTHOYLGLYCINES AS ALDOSE REDUCTASE INHIBITORS AMERICAN HOME PRODUCTS CORPORATION (US) 1993-03-24 EP disclosed
US-4962224-A TREATMENT OR PREVENTION OF DIABETES AMERICAN HOME PRODUCTS CORPORATION (US) 1990-10-09 US disclosed
WO-1989005793-A1 N-ACYL-N-NAPHTHOYLGLYCINES AS ALDOSE REDUCTASE INHIBITORS AMERICAN HOME PRODUCTS CORPORATION (US) 1989-06-29 WO disclosed
EP-0322256-A1 N-acyl-N-naphthoylglycines as aldose reductase inhibitors AMERICAN HOME PRODUCTS CORPORATION (US) 1989-06-28 EP disclosed
EP-0322255-A1 N-acyl-N-naphthoylglycines as aldose reductase inhibitors AMERICAN HOME PRODUCTS CORPORATION (US) 1989-06-28 EP disclosed
US-4820727-A TREATING DIABETIC COMPLICATIONS-VISION DEFECTS, KIDNEY AND NERVOUS SYSTEM DISORDERS AMERICAN HOME PRODUCTS CORPORATION (US) 1989-04-11 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
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-4408077-A 6-(Lower alkoxy)-5-(trifluoromethyl)-1-naphthalenecarboxaldehydes AYERST, MCKEENA & HARRISON, INC. (CA) 1983-10-04 US disclosed