SCHEMBL6975491

SCHEMBL6975491

C1CCC(COCC2CCCCO2)OC1

nearest known ligand 0.46

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.46
LMNA P02545 1/20 0.46
POLB P06746 1/20 0.46
ALDH1A1 P00352 2/20 0.43
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
MGLL Q99685 2/20 0.38
TDP1 Q9NUW8 1/20 0.38
HPGD P15428 1/20 0.37

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
SCHEMBL812840 0.92 LMNA (0.52) TSHRLMNAPOLBALDH1A1NPC1
SCHEMBL16345225 0.90 LMNA (0.50) TSHRLMNAPOLBALDH1A1NPC1
Barium SCHEMBL2592652 0.90 LMNA (0.50) TSHRLMNAPOLBALDH1A1NPC1
SCHEMBL3757540 0.90 LMNA (0.50) TSHRLMNAPOLBALDH1A1NPC1
SCHEMBL13455408 0.89 TSHR (0.52) TSHRLMNAPOLBALDH1A1NPC1
SCHEMBL13294286 0.87 TSHR (0.56) TSHRLMNAPOLBALDH1A1NPC1
SCHEMBL13294307 0.87 TSHR (0.50) TSHRLMNAPOLBALDH1A1NPC1
SCHEMBL1838719 0.87 PDK1 (0.47) TSHRLMNAPOLBALDH1A1SMN1; SMN2
SCHEMBL20000966 0.87 LMNA (0.44) TSHRLMNAPOLBALDH1A1NPC1
SCHEMBL6931763 0.87 LMNA (0.41) TSHRLMNAPOLBALDH1A1NPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1324997-A2 DIOXOLANE ANALOGS FOR IMPROVED INTER-CELLULAR DELIVERY Shire Biochem Inc. (CA) 2003-07-09 EP disclosed
WO-2002030922-A2 DIOXOLANE ANALOGS FOR IMPROVED INTER-CELLULAR DELIVERY SHIRE BIOCHEM INC. (CA) 2002-04-18 WO disclosed
WO-1997021440-A1 A SOLUTION FOR ORAL ADMINISTRATION CONTAINING ICI 182,780 ZENECA LIMITED (GB) 1997-06-19 WO disclosed
US-4525203-A ((3,4,5,6-Tetrahydro-2H-pyran-2-yl)methoxy)oxabicycloalkane herbicides SHELL OIL COMPANY (US) 1985-06-25 US disclosed