SCHEMBL5960476

SCHEMBL5960476

O=C(O)c1ccc(C=Cc2ccccc2)c(O)c1O

nearest known ligand 0.55

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PIM1 P11309 3/20 0.55
PTPN1 P18031 5/20 0.53
HNF4A P41235 1/20 0.53
PTPN6 P29350 3/20 0.51
TRPA1 O75762 1/20 0.48
SELL P14151 1/20 0.47
SELP P16109 1/20 0.47
PTPN2 P17706 2/20 0.44
LDHA P00338 1/20 0.44
BCL2L1 Q07817 1/20 0.44
BAD Q92934 1/20 0.44
CYP1B1 Q16678 1/20 0.43
ABCG2 Q9UNQ0 1/20 0.43

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
SCHEMBL23985865 1.00 PIM1 (0.55) PIM1PTPN1HNF4APTPN6TRPA1
SCHEMBL7709310 0.86 PTPN1 (0.57) PIM1PTPN1HNF4APTPN6TRPA1
SCHEMBL22887320 0.86 PTPN1 (0.57) PIM1PTPN1HNF4APTPN6TRPA1
SCHEMBL29030432 0.85 PIM1 (0.51) PIM1PTPN1HNF4APTPN6TRPA1
SCHEMBL5960456 0.82 CYP1A2 (0.49) TRPA1CYP1B1ABCG2
SCHEMBL29030424 0.81 PIM1 (0.48) PIM1PTPN1HNF4APTPN6TRPA1
SCHEMBL29030433 0.79 PIM1 (0.46) PIM1PTPN1HNF4APTPN6TRPA1
SCHEMBL4619025 0.79 PTPN1 (0.49) PIM1PTPN1HNF4APTPN6TRPA1
SCHEMBL27590273 0.79 PTPN1 (0.49) PIM1PTPN1HNF4APTPN6TRPA1
SCHEMBL2291774 0.77 GRIK1 (0.58) PTPN1HNF4APTPN6TRPA1PTPN2

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