SCHEMBL6934671

SCHEMBL6934671

CC1(C)COC(CCOC(=O)c2ccccc2)OC1

nearest known ligand 0.50

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.50
TDP1 Q9NUW8 2/20 0.49
SMN1; SMN2 Q16637 2/20 0.45
NPC1 O15118 1/20 0.45
RAB9A P51151 1/20 0.45
TSHR P16473 1/20 0.41
ALDH1A1 P00352 1/20 0.41
SCN1A P35498 1/20 0.41
SCN2A Q99250 1/20 0.41
SCN3A Q9NY46 1/20 0.41
KMT2A Q03164 2/20 0.41
MAPK1 P28482 1/20 0.41
HIF1A Q16665 1/20 0.41
SLC6A2 P23975 1/20 0.41
SLC6A3 Q01959 1/20 0.41
MAPT P10636 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40

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
SCHEMBL25891804 0.73 LMNA (0.48) LMNATDP1NPC1ALDH1A1SCN1A
SCHEMBL18288401 0.73 LMNA (0.48) LMNATDP1NPC1ALDH1A1SCN1A
SCHEMBL25893154 0.73 LMNA (0.48) LMNATDP1NPC1ALDH1A1SCN1A
SCHEMBL14402754 0.72 TDP1 (0.61) LMNATDP1SMN1; SMN2NPC1RAB9A
SCHEMBL18759619 0.72 TDP1 (0.61) LMNATDP1SMN1; SMN2NPC1RAB9A
SCHEMBL711840 0.71 MAPK1 (0.44) LMNATDP1NPC1ALDH1A1KMT2A
SCHEMBL29014955 0.71 LMNA (0.49) LMNATDP1SMN1; SMN2NPC1RAB9A
SCHEMBL28654712 0.71 TDP1 (0.59) LMNATDP1SMN1; SMN2NPC1RAB9A
SCHEMBL137486 0.71 TDP1 (0.83) LMNATDP1SMN1; SMN2NPC1RAB9A
SCHEMBL9844172 0.71 TDP1 (0.64) LMNATDP1ALDH1A1SCN1ASCN2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0983985-B1 Method for the reduction of the acetal or ketal content in alcoholic reaction mixtures DEGUSSA (DE) 2003-12-10 EP disclosed
US-6232512-B1 HETEROGENEOUS CATALYTIC HYDROGENATION OF REACTION MIXTURE WITH HYDROGEN USING ACTIVATED CARBON CHARGED WITH NOBLE METAL AS CATALYST DEGUSSA-HULS AG (DE) 2001-05-15 US disclosed
EP-0983985-A2 Method for the reduction of the acetal or ketal content in alcoholic reaction mixtures Degussa-Hüls Aktiengesellschaft (DE) 2000-03-08 EP disclosed