SCHEMBL5068404

SCHEMBL5068404

CCCCc1cc[c]c(OCOC)c1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SKP2 Q13309 1/20 0.36
HPGD P15428 2/20 0.35
NPC1 O15118 1/20 0.35
MAPK1 P28482 1/20 0.35
HTT P42858 1/20 0.35
RAB9A P51151 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
PPARG P37231 2/20 0.32
PPARA Q07869 2/20 0.32
CA1 P00915 1/20 0.31
CA2 P00918 1/20 0.31
MDH1 P40925 1/20 0.30
LPL P06858 1/20 0.30
LIPG Q9Y5X9 1/20 0.30
PTGS2 P35354 1/20 0.30
LMNA P02545 1/20 0.30
TUBB4A P04350 1/20 0.30
CYP1A2 P05177 1/20 0.30
TUBB P07437 1/20 0.30
TUBA3C P0DPH7 1/20 0.30

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
SCHEMBL8407046 0.86 SKP2 (0.35) SKP2HPGDNPC1MAPK1HTT
SCHEMBL27680870 0.85 SKP2 (0.39) SKP2HPGDNPC1MAPK1HTT
SCHEMBL29280364 0.85 SKP2 (0.39) SKP2HPGDNPC1MAPK1HTT
SCHEMBL1012044 0.83 SKP2 (0.40) SKP2HPGDNPC1MAPK1HTT
SCHEMBL27792841 0.79 LOXL2 (0.39)
SCHEMBL27778409 0.78 THRA (0.37) SKP2NPC1MAPK1HTTNPSR1
Magnesium Chloride Anhydrous SCHEMBL27757421 0.78 THRA (0.37) NPC1MAPK1HTTNPSR1PPARG
SCHEMBL11212743 0.78 PPARG (0.46) PPARGPPARALPLLIPGPTGS2
SCHEMBL8704610 0.78 SKP2 (0.38) SKP2HPGDNPC1MAPK1HTT
SCHEMBL29167688 0.76 TSHR (0.44) TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-100467598-C Fungal cell wall synthetic genes EISAI CO LTD (JP) 2009-03-11 CN disclosed
CN-100467597-C Fungal cell wall synthetic genes EISAI CO LTD (JP) 2009-03-11 CN disclosed
US-20080261272-A1 FUNGAL CELL WALL SYNTHESIS GENE EISAI R&D MANAGEMENT CO., LTD (JP) 2008-10-23 US disclosed
CN-101285061-A Fungal cell wall synthetic genes EISAI R&D MAN CO LTD (JP) 2008-10-15 CN disclosed
CN-1873002-A Fungal cell wall synthesis gene EISAI CO LTD (JP) 2006-12-06 CN disclosed
CN-1873003-A Fungal cell wall synthesis gene EISAI CO LTD (JP) 2006-12-06 CN disclosed
CN-1249227-C Fungal cell wall synthetic genes EISAI CO LTD (JP) 2006-04-05 CN disclosed
CN-1449443-A Fungal cell wall synthetic genes EISAI CO LTD (JP) 2003-10-15 CN disclosed