SCHEMBL8210573

SCHEMBL8210573

C1COC(COCCOCCOCC2CCCO2)C1

nearest known ligand 0.48

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.48
LMNA P02545 2/20 0.47
POLB P06746 1/20 0.47
ALDH1A1 P00352 3/20 0.44
SMN1; SMN2 Q16637 2/20 0.42
TDP1 Q9NUW8 1/20 0.39
PDK1 Q15118 2/20 0.39
PRMT5 O14744 1/20 0.36
WDR77 Q9BQA1 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
USP2 O75604 1/20 0.35
TP53 P04637 1/20 0.34
HPGD P15428 1/20 0.34
ALOX12 P18054 1/20 0.34

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
SCHEMBL13455408 0.93 TSHR (0.52) TSHRLMNAPOLBALDH1A1SMN1; SMN2
SCHEMBL13294307 0.91 TSHR (0.50) TSHRLMNAPOLBALDH1A1SMN1; SMN2
SCHEMBL9863645 0.90 PDK1 (0.50) TSHRLMNAPOLBALDH1A1SMN1; SMN2
SCHEMBL2120749 0.90 PDK1 (0.50) TSHRLMNAPOLBALDH1A1SMN1; SMN2
SCHEMBL2120531 0.90 PDK1 (0.50) TSHRLMNAPOLBALDH1A1SMN1; SMN2
SCHEMBL13301297 0.90 SMN1; SMN2 (0.44) TSHRLMNAPOLBALDH1A1SMN1; SMN2
SCHEMBL9864793 0.90 PDK1 (0.50) TSHRLMNAPOLBALDH1A1SMN1; SMN2
SCHEMBL18187497 0.89 SMN1; SMN2 (0.61) TSHRLMNAPOLBALDH1A1SMN1; SMN2
SCHEMBL812840 0.88 LMNA (0.52) TSHRLMNAPOLBALDH1A1SMN1; SMN2
SCHEMBL13294314 0.88 TSHR (0.54) TSHRLMNAPOLBALDH1A1SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113896696-B Method for removing tetrahydrofurfuryl alcohol from tetrahydrofurfuryl alcohol ethyl ether crude product by reaction method 中国石油化工股份有限公司 2024-03-12 CN claimed
WO-2019073431-A1 AN IMPROVED PROCESS FOR THE PREPARATION OF APREMILAST AND ITS INTERMEDIATE Piramal Enterprises Limited (IN) 2019-04-18 WO claimed
WO-2019073431-A1 AN IMPROVED PROCESS FOR THE PREPARATION OF APREMILAST AND ITS INTERMEDIATE Piramal Enterprises Limited (IN) 2019-04-18 WO disclosed
US-7728050-B2 Curable composition, ink composition, inkjet recording method, printed matter, method for producing planographic printing plate, planographic printing plate and oxetane compound FUJIFILM CORPORATION (JP) 2010-06-01 US disclosed
US-7728050-B2 Curable composition, ink composition, inkjet recording method, printed matter, method for producing planographic printing plate, planographic printing plate and oxetane compound FUJIFILM CORPORATION (JP) 2010-06-01 US disclosed
US-20100055364-A1 OXYGEN ABSORBING COMPOSITION AND CONTAINERS MADE BY USING THE SAME KURARAY CO., LTD. (JP) 2010-03-04 US disclosed
EP-1930073-A1 OXYGEN ABSORBING COMPOSITION AND CONTAINERS MADE BY USING THE SAME Kuraray Co., Ltd. (JP) 2008-06-11 EP disclosed
US-20070112088-A1 Curable composition, ink composition, inkjet recording method, printer matter, method for producing planographic printing plate, planographic printing plate and oxetane compound FUJIFILM CORPORATION 2007-05-17 US disclosed
US-20070112088-A1 Curable composition, ink composition, inkjet recording method, printer matter, method for producing planographic printing plate, planographic printing plate and oxetane compound FUJIFILM CORPORATION 2007-05-17 US disclosed
US-6130195-A TETRAHYDROFURFURYL ALCOHOL AND 3-METHOXY-3-METHYL BUTANOL. KYZEN CORPORATION (US) 2000-10-10 US disclosed