SCHEMBL7647448

SCHEMBL7647448

C1=CCCCC(C2=CCCC2)=CC1

nearest known ligand 0.32

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
TYMP P19971 1/20 0.32
ALDH1A1 P00352 1/20 0.32
ACMSD Q8TDX5 1/20 0.31

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
SCHEMBL15048839 0.81 TYMP (0.40) TYMPALDH1A1ACMSD
SCHEMBL604266 0.81 TYMP (0.40) TYMPALDH1A1ACMSD
SCHEMBL13372561 0.79 TYMP (0.33) TYMPALDH1A1ACMSD
SCHEMBL121790 0.76
SCHEMBL2333031 0.76 TYMP (0.38) TYMPALDH1A1ACMSD
SCHEMBL1109730 0.75 TYMP (0.41) TYMPALDH1A1ACMSD
SCHEMBL3343472 0.75
SCHEMBL28649782 0.75
SCHEMBL7647446 0.73
SCHEMBL5136081 0.73

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6489353-B2 ANTIINFLAMMATORY AGENTS; AUTOIMMUNE DISEASES; CENTRAL NERVOUS SYSTEM DISORDERS IDUN PHARMACEUTICALS, INC. 2002-12-03 US disclosed