SCHEMBL9504046

SCHEMBL9504046

NC(=O)N(O)CCc1ccc2cc(OCc3ccc4ccccc4n3)ccc2c1

nearest known ligand 0.58

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 2/20 0.58
CYSLTR1 Q9Y271 9/20 0.58
FFAR1 O14842 1/20 0.57
AKR1B1 P15121 1/20 0.57
CYSLTR2 Q9NS75 2/20 0.54
GPBAR1 Q8TDU6 2/20 0.54
PDE10A Q9Y233 1/20 0.52

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
SCHEMBL9593916 0.90 ALOX5 (0.59) ALOX5CYSLTR1FFAR1AKR1B1CYSLTR2
SCHEMBL9380104 0.84 ALOX5 (0.58) ALOX5
SCHEMBL9505352 0.80 ALOX5 (0.85) ALOX5CYSLTR1FFAR1AKR1B1GPBAR1
SCHEMBL7807149 0.79 FFAR1 (0.68) ALOX5CYSLTR1FFAR1AKR1B1CYSLTR2
SCHEMBL9505341 0.79 ALOX5 (0.62) ALOX5CYSLTR1FFAR1AKR1B1
SCHEMBL9590051 0.79 ALOX5 (0.58) ALOX5CYSLTR1CYSLTR2GPBAR1
SCHEMBL7801881 0.79 CYSLTR1 (0.64) ALOX5CYSLTR1FFAR1AKR1B1CYSLTR2
SCHEMBL10512475 0.77 PDE10A (0.77) CYSLTR1CYSLTR2GPBAR1PDE10A
SCHEMBL9504039 0.77 ALOX5 (0.60) ALOX5CYSLTR1CYSLTR2GPBAR1
SCHEMBL10692251 0.77 ALOX5 (0.76) ALOX5CYSLTR1FFAR1AKR1B1CYSLTR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0547148-A1 NAPHTHALENEPROPIONIC ACID DERIVATIVES AS ANTI-INFLAMMATORY/ANTIALLERGIC AGENTS AMERICAN HOME PRODUCTS CORPORATION (US) 1993-06-23 EP claimed
WO-1992004325-A1 NAPHTHALENEPROPIONIC ACID DERIVATIVES AS ANTI-INFLAMMATORY/ANTIALLERGIC AGENTS AMERICAN HOME PRODUCTS CORPORATION (US) 1992-03-19 WO claimed