SCHEMBL7987934

SCHEMBL7987934

COc1ccc(S(=O)(=O)Oc2ccc(CCOc3ccc(/C=C4/SC(=O)NC4=O)cc3)cc2)cc1

nearest known ligand 0.63

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
HPGD P15428 12/20 0.63
PIM1 P11309 3/20 0.58
PIM2 Q9P1W9 3/20 0.58
AKR1B1 P15121 1/20 0.58
NPC1 O15118 1/20 0.58
RAB9A P51151 1/20 0.58
CISD1 Q9NZ45 1/20 0.57
PTPN1 P18031 2/20 0.52
PTGS2 P35354 1/20 0.48

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
SCHEMBL7987937 1.00 HPGD (0.63) HPGDPIM1PIM2AKR1B1NPC1
SCHEMBL7998376 0.90 HPGD (0.76) HPGDPIM1PIM2CISD1PTPN1
SCHEMBL7998379 0.90 HPGD (0.76) HPGDPIM1PIM2CISD1PTPN1
SCHEMBL8003787 0.85 HPGD (0.71) HPGDPIM1PIM2CISD1PTPN1
SCHEMBL7996853 0.85 HPGD (0.71) HPGDPIM1PIM2CISD1PTPN1
SCHEMBL7996857 0.85 HPGD (0.71) HPGDPIM1PIM2CISD1PTPN1
SCHEMBL8003791 0.85 HPGD (0.71) HPGDPIM1PIM2CISD1PTPN1
SCHEMBL8000503 0.82 HPGD (0.67) HPGDPIM1PIM2CISD1PTPN1
SCHEMBL8000501 0.82 HPGD (0.67) HPGDPIM1PIM2CISD1PTPN1
SCHEMBL7987799 0.82 HPGD (0.57) HPGDPIM1PIM2CISD1PTPN1

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-6288096-B1 ANTIDIABETIC AGENTS, HYPOTENSIVE AGENTS, AND ANTICHOLESTEROL AGENTS ASTRAZENECA AB (SE) 2001-09-11 US disclosed