SCHEMBL6835799

SCHEMBL6835799

CCCCOC1=C(CCCC)C(=O)C(CCCC)=C(CCCC)C1=O

nearest known ligand 0.47

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 19/20 0.47
ALDH1A1 P00352 1/20 0.46
MAPT P10636 1/20 0.46
THRB P10828 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
MPEG1 Q2M385 4/20 0.45

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
SCHEMBL5589800 0.88 ALOX5 (0.50) ALOX5ALDH1A1MAPTTHRBTDP1
SCHEMBL5588228 0.80 ALOX5 (0.46) ALOX5ALDH1A1MAPTTHRBTDP1
SCHEMBL27538184 0.76 ALDH1A1 (0.45) ALOX5ALDH1A1MAPTTHRBTDP1
SCHEMBL9713844 0.75 ELANE (0.46) ALOX5ALDH1A1MAPTTDP1
SCHEMBL9629370 0.75 PTPN1 (0.50) ALOX5ALDH1A1MAPTTHRBTDP1
SCHEMBL14396504 0.74 ALOX5 (0.36) ALOX5ALDH1A1MAPTTDP1MPEG1
SCHEMBL9578637 0.73 ALDH1A1 (0.69) ALOX5ALDH1A1MAPTTHRBTDP1
SCHEMBL11658545 0.73 PTPN1 (0.51) ALOX5MPEG1
SCHEMBL5590411 0.73 CA1 (0.42) ALDH1A1MAPTTHRBTDP1
SCHEMBL27981020 0.72 PTPN1 (0.50) ALOX5MPEG1

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-6753009-B2 IMPROVED FEEL, TASTE, AND STABILITY MCNEIL-PPC, INC. 2004-06-22 US claimed
US-20030175336-A1 Improved feel, taste, and stability MCNEIL-PPC, INC. 2003-09-18 US claimed
US-6753009-B2 IMPROVED FEEL, TASTE, AND STABILITY MCNEIL-PPC, INC. 2004-06-22 US disclosed
US-20030175336-A1 Improved feel, taste, and stability MCNEIL-PPC, INC. 2003-09-18 US disclosed