SCHEMBL5960459

SCHEMBL5960459

O=C(O)c1c(O)cc(C=Cc2ccccc2)cc1O

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 4/20 0.58
HNF4A P41235 1/20 0.58
SLC5A1 P13866 1/20 0.56
SLC5A2 P31639 1/20 0.56
AHR P35869 1/20 0.55
PTPN6 P29350 2/20 0.51
TTR P02766 2/20 0.50
CA12 O43570 1/20 0.50
CA1 P00915 1/20 0.50
CA2 P00918 1/20 0.50
CA7 P43166 1/20 0.50
CA9 Q16790 1/20 0.50
CA14 Q9ULX7 1/20 0.50
ALOX5 P09917 1/20 0.50
PTGS1 P23219 1/20 0.50
PTGS2 P35354 1/20 0.50
P2RX3 P56373 1/20 0.49
CYP19A1 P11511 1/20 0.49
CYP2C9 P11712 1/20 0.49
MAOA P21397 1/20 0.49

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
SCHEMBL5960458 1.00 PTPN1 (0.58) PTPN1HNF4ASLC5A1SLC5A2AHR
SCHEMBL19420358 0.86 PTGS1 (0.58) PTPN1PTPN6TTRCA12CA1
SCHEMBL25522549 0.85 AHR (0.56) PTPN1HNF4ASLC5A1SLC5A2AHR
SCHEMBL19420484 0.82 LCK (0.65) PTPN1HNF4APTPN6TTRCA12
SCHEMBL6229522 0.80 SLC5A1 (0.61) PTPN1HNF4ASLC5A1SLC5A2TTR
SCHEMBL5960451 0.80 CA12 (0.56) PTPN1SLC5A1SLC5A2AHRTTR
SCHEMBL6229519 0.80 SLC5A1 (0.61) PTPN1HNF4ASLC5A1SLC5A2TTR
SCHEMBL30358577 0.80 SLC5A1 (0.61) PTPN1HNF4ASLC5A1SLC5A2TTR
SCHEMBL5960447 0.80 CA12 (0.56) PTPN1SLC5A1SLC5A2AHRTTR
SCHEMBL10597010 0.79 PTPN1 (0.71) PTPN1HNF4AAHRPTPN6TTR

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