SCHEMBL7664533

SCHEMBL7664533

CCCCCC[N+]([O-])=Cc1cc(S(=O)(=O)O)c(S(=O)(=O)O)o1

nearest known ligand 0.32

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.32
S1PR3 Q99500 1/20 0.30

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
SCHEMBL7658872 0.95
SCHEMBL7665324 0.90
SCHEMBL7660785 0.81
SCHEMBL7668820 0.78
SCHEMBL7662741 0.78 ALDH1A1 (0.32) ALDH1A1S1PR3
SCHEMBL7665533 0.77 CA1 (0.39) ALDH1A1S1PR3
SCHEMBL7670937 0.77
SCHEMBL7670034 0.76 ALDH1A1 (0.33) ALDH1A1S1PR3
SCHEMBL7661004 0.76 S1PR3 (0.36) ALDH1A1S1PR3
SCHEMBL7667630 0.74 ALDH1A1 (0.33) ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6376540-B1 PREVENT NEURODEGENERATIVE DISEASE CENTAUR PHARMACEUTICALS, INC. 2002-04-23 US disclosed
US-6051571-A NERVOUS SYSTEM DISORDERS; CARDIOVASCULAR DISORDERS CENTAUR PHARMACEUTICALS, INC. (US) 2000-04-18 US disclosed
US-6040444-A Process for preparing furan nitrone compounds CENTAUR PHARMACEUTICALS, INC. (US) 2000-03-21 US disclosed
US-5942507-A REAGANTS FOR DETECTION FREE RADICALS CENTAUR PHARMACEUTICALS, INC. (US) 1999-08-24 US disclosed