SCHEMBL5960453

SCHEMBL5960453

Oc1cc(C=Cc2ccccc2)cc(O)c1Cl

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AHR P35869 1/20 0.58
PTGS1 P23219 2/20 0.53
TTR P02766 1/20 0.53
ALOX5 P09917 1/20 0.53
PTGS2 P35354 1/20 0.53
TRPA1 O75762 1/20 0.52
TUBB1 Q9H4B7 1/20 0.50
KDM4E B2RXH2 2/20 0.47
MEN1 O00255 2/20 0.47
ALDH1A1 P00352 2/20 0.47
CYP3A4 P08684 2/20 0.47
MAPT P10636 2/20 0.47
HPGD P15428 2/20 0.47
KMT2A Q03164 2/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
HSD17B10 Q99714 2/20 0.47
PTPN1 P18031 2/20 0.47
USP2 O75604 1/20 0.47
TP53 P04637 1/20 0.47
TRPV1 Q8NER1 1/20 0.47

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
SCHEMBL5960449 1.00 AHR (0.58) AHRPTGS1TTRALOX5PTGS2
SCHEMBL22442012 0.83 PTGS1 (0.64) PTGS1TTRALOX5PTGS2TRPA1
3,4,5-Trihydroxy-Transstilbene SCHEMBL41160 0.82 PTGS2 (0.63) AHRPTGS1TTRALOX5PTGS2
3,4,5-Trihydroxy-Transstilbene SCHEMBL41159 0.82 PTGS2 (0.63) AHRPTGS1TTRALOX5PTGS2
SCHEMBL27388811 0.79 TUBB1 (0.56) AHRPTGS1TTRALOX5PTGS2
SCHEMBL919450 0.78 AHR (0.58) AHRPTGS1TTRALOX5PTGS2
SCHEMBL5960441 0.78 PTGS1 (0.64) AHRPTGS1TTRALOX5PTGS2
SCHEMBL919452 0.78 AHR (0.58) AHRPTGS1TTRALOX5PTGS2
SCHEMBL5960445 0.78 PTGS1 (0.64) AHRPTGS1TTRALOX5PTGS2
SCHEMBL27882848 0.78 AHR (0.58) AHRPTGS1TTRALOX5PTGS2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2006004722-A2 COMPOSITIONS AND METHODS FOR SELECTIVELY ACTIVATING HUMAN SIRTUINS BIOMOL RESEARCH LABORATORIES, INC. (US) 2006-01-12 WO claimed
WO-2006004722-A2 COMPOSITIONS AND METHODS FOR SELECTIVELY ACTIVATING HUMAN SIRTUINS BIOMOL RESEARCH LABORATORIES, INC. (US) 2006-01-12 WO disclosed