SCHEMBL7069247

SCHEMBL7069247

O=C(O)O[C@H]1CC[C@@H](OC(=O)O)O1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GMNN O75496 2/20 0.35
LMNA P02545 2/20 0.35
PMP22 Q01453 2/20 0.35
TP53 P04637 2/20 0.35
NFKB1 P19838 2/20 0.35
THPO P40225 2/20 0.35
TSHR P16473 2/20 0.35
KDM4E B2RXH2 1/20 0.35
TFPI2 P48307 1/20 0.35
MAPK1 P28482 2/20 0.31
CYP2C19 P33261 1/20 0.31
STAT6 P42226 1/20 0.31
HIF1A Q16665 1/20 0.31
NPC1 O15118 1/20 0.31
MTOR P42345 1/20 0.31
RAB9A P51151 1/20 0.31
BLM P54132 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
SUCNR1 Q9BXA5 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
SCHEMBL10599147 1.00 GMNN (0.35) GMNNLMNAPMP22TP53NFKB1
SCHEMBL7029409 0.79
SCHEMBL9375474 0.76 TSHR (0.52) TSHR
SCHEMBL22869234 0.76 TSHR (0.52) TSHR
SCHEMBL22869232 0.76 TSHR (0.52) TSHR
SCHEMBL1581256 0.74
SCHEMBL3886205 0.70
SCHEMBL486112 0.70
SCHEMBL3874885 0.70
SCHEMBL9354384 0.69 MEN1 (0.41) LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0799887-B1 Fabric softener compositions PROCTER & GAMBLE (US) 2003-06-11 EP claimed
EP-3077453-B1 SOFTENER COMPOSITION WHICH CONTAINS TETRAHYDROFURAN DERIVATIVES AND 1,2-CYCLOHEXANE DICARBOXYLIC ACID ESTERS BASF SE (DE) 2018-03-28 EP disclosed
EP-2984076-B1 2,5-TETRAHYDROFURANE-ESTERS AND -ETHERS AS PLASTICIZERS BASF SE (DE) 2017-11-01 EP disclosed
EP-3077453-A1 SOFTENER COMPOSITION WHICH CONTAINS TETRAHYDROFURAN DERIVATIVES AND 1,2-CYCLOHEXANE DICARBOXYLIC ACID ESTERS BASF SE (DE) 2016-10-12 EP disclosed
EP-3041829-A1 TETRAHYDROFURAN DERIVATIVES AND THEIR USE AS PLASTICIZERS BASF SE (DE) 2016-07-13 EP disclosed
WO-2015082676-A1 SOFTENER COMPOSITION WHICH CONTAINS TETRAHYDROFURAN DERIVATIVES AND 1,2-CYCLOHEXANE DICARBOXYLIC ACID ESTERS BASF SE (DE) 2015-06-11 WO disclosed
WO-2015032794-A1 TETRAHYDROFURAN DERIVATIVES AND THEIR USE AS PLASTICIZERS BASF SE (DE) 2015-03-12 WO disclosed