SCHEMBL5711240

SCHEMBL5711240

N#CC1(C(O)(c2ccccc2)c2ccccc2)CCCCC1

nearest known ligand 0.38

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CCR6 P51684 1/20 0.38
KCNH2 Q12809 1/20 0.38
CHRM3 P20309 9/20 0.36
HSD11B1 P28845 1/20 0.36
MEN1 O00255 2/20 0.36
ALDH1A1 P00352 2/20 0.36
KMT2A Q03164 2/20 0.36
GAA P10253 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
CTDSP1 Q9GZU7 1/20 0.35
KCNA3 P22001 1/20 0.34

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
SCHEMBL17450400 0.75 MEN1 (0.34) MEN1ALDH1A1KMT2AGAASMN1; SMN2
SCHEMBL17443224 0.73 CYP2C19 (0.33) MEN1ALDH1A1KMT2ASMN1; SMN2
SCHEMBL17443222 0.73 CYP2C19 (0.33) MEN1ALDH1A1KMT2ASMN1; SMN2
SCHEMBL23641488 0.71 TAAR1 (0.36) HSD11B1MEN1ALDH1A1KMT2AGAA
SCHEMBL17450424 0.70 MEN1 (0.33) MEN1ALDH1A1KMT2AGAASMN1; SMN2
SCHEMBL2864827 0.70 ALDH1A1 (0.42) ALDH1A1
SCHEMBL20846778 0.67 KCNA3 (0.33) HSD11B1MEN1ALDH1A1KMT2AGAA
SCHEMBL15355977 0.67 KCNA3 (0.33) HSD11B1MEN1ALDH1A1KMT2AGAA
SCHEMBL20247219 0.66 CHRM3 (0.48) CCR6KCNH2CHRM3
SCHEMBL11119753 0.65 CCR6 (0.47) CCR6KCNH2CHRM3MEN1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0888290-B1 AZULENYL NITRONE SPIN TRAPPING AGENTS, METHODS OF MAKING AND USING SAME FLORIDA INTERNAT UNIVERSITY (US) 2006-12-27 EP disclosed
EP-0888290-A4 AZULENYL NITRONE SPIN TRAPPING AGENTS, METHODS OF MAKING AND USING SAME FLORIDA INTERNAT UNIVERSITY (US) 2004-08-18 EP disclosed
US-6291702-B1 AS AGENTS FOR TRAPPING AND IDENTIFYING FREE RADICAL SPECIES AND FIND USE AS EFFICIENT ANTIOXIDANTS IN PHYSICOCHEMICAL AND BIOLOGICAL SYSTEMS. FLORIDA INTERNATIONAL UNIVERSITY 2001-09-18 US disclosed
US-6197825-B1 EFFECTIVE AGENTS FOR TRAPPING AND IDENTIFYING FREE RADICAL SPECIES AND FIND USE AS EFFICIENT ANTIOXIDANTS IN PHYSICOCHEMICAL AND BIOLOGICAL SYSTEMS. DIAMAGNETIC NITRONE COMPOUND (THE ?SPIN TRAP?) REACTS WITH A TRANSIENT FREE FLORIDA INTERNATIONAL UNIVERSITY 2001-03-06 US disclosed
US-6083988-A AZULENYL NITRONES ARE EFFECTIVE AGENTS FOR TRAPPING AND IDENTIFYING FREE RADICALS AND FIND USE AS EFFICIENT ANTIOXIDANT IN PHYSICOCHEMICAL AND BIOLOGICAL SYSTEMS FLORIDA INTERNATIONAL UNIVERSITY 2000-07-04 US disclosed
EP-0888290-A1 AZULENYL NITRONE SPIN TRAPPING AGENTS, METHODS OF MAKING AND USING SAME Florida International University (US) 1999-01-07 EP disclosed
WO-1997019054-A9 AZULENYL NITRONE SPIN TRAPPING AGENTS, METHODS OF MAKING AND USING SAME 1997-08-07 WO disclosed
WO-1997019054-A1 AZULENYL NITRONE SPIN TRAPPING AGENTS, METHODS OF MAKING AND USING SAME FLORIDA INTERNATIONAL UNIVERSITY (US) 1997-05-29 WO disclosed