SCHEMBL9505339

SCHEMBL9505339

CC(NC(=O)N(C)O)c1ccc2cc(OCc3ccc4ccccc4n3)ccc2c1

nearest known ligand 0.66

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 3/20 0.58
CYSLTR1 Q9Y271 6/20 0.58
PDE4A P27815 1/20 0.56
PDE4B Q07343 1/20 0.56
PDE4C Q08493 1/20 0.56
PDE4D Q08499 1/20 0.56
PDE3B Q13370 1/20 0.56
PDE3A Q14432 1/20 0.56
GPBAR1 Q8TDU6 1/20 0.50

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
SCHEMBL9584619 1.00 ALOX5 (0.58) ALOX5CYSLTR1PDE4APDE4BPDE4C
SCHEMBL9507030 0.85 ALOX5 (0.64) ALOX5CYSLTR1PDE4APDE4BPDE4C
SCHEMBL9584634 0.85 ALOX5 (0.64) ALOX5CYSLTR1PDE4APDE4BPDE4C
Water SCHEMBL9588688 0.84 ALOX5 (0.63) ALOX5CYSLTR1PDE4APDE4BPDE4C
SCHEMBL7801682 0.80 ALOX5 (0.66) ALOX5CYSLTR1PDE4APDE4BPDE4C
SCHEMBL9589932 0.80 ALOX5 (0.66) ALOX5CYSLTR1PDE4APDE4BPDE4C
SCHEMBL7801687 0.80 ALOX5 (0.81) ALOX5CYSLTR1PDE4APDE4BPDE4C
SCHEMBL2683757 0.80 ALOX5 (0.81) ALOX5CYSLTR1PDE4APDE4BPDE4C
SCHEMBL9332072 0.80 ALOX5 (0.81) ALOX5CYSLTR1PDE4APDE4BPDE4C
SCHEMBL9507022 0.80 ALOX5 (0.63) ALOX5CYSLTR1PDE4APDE4BPDE4C

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5250693-A Lipoxygenase inhibitors AMERICAN HOME PRODUCTS CORPORATION (US) 1993-10-05 US claimed
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