SCHEMBL3956286

SCHEMBL3956286

CC(=NOCCCCC1COC(C)(OC(=O)O)OC1)c1ccccn1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 8/20 0.40
LMNA P02545 6/20 0.40
L3MBTL1 Q9Y468 2/20 0.40
NPC1 O15118 2/20 0.40
RAB9A P51151 2/20 0.40
HTT P42858 2/20 0.40
KDM4E B2RXH2 6/20 0.38
MITF O75030 3/20 0.38
ALDH1A1 P00352 2/20 0.38
TDP1 Q9NUW8 2/20 0.38
AGTR1 P30556 1/20 0.38
ATM Q13315 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
OPRK1 P41145 1/20 0.38
MAPT P10636 1/20 0.38
CASP3 P42574 1/20 0.38
SENP8 Q96LD8 1/20 0.38
SENP7 Q9BQF6 1/20 0.38
SENP6 Q9GZR1 1/20 0.38
TBXA2R P21731 7/20 0.36

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
SCHEMBL3760093 0.88 PPARA (0.46) SMN1; SMN2LMNAL3MBTL1NPC1RAB9A
SCHEMBL3760095 0.88 PPARA (0.46) SMN1; SMN2LMNAL3MBTL1NPC1RAB9A
SCHEMBL3962122 0.86 PPARA (0.50) LMNAL3MBTL1HTTTBXA2RPPARA
SCHEMBL3764186 0.84 SMN1; SMN2 (0.40) SMN1; SMN2LMNAL3MBTL1NPC1RAB9A
SCHEMBL3959737 0.83 PPARA (0.40) L3MBTL1ALDH1A1MAPTTBXA2RPPARA
SCHEMBL3962164 0.82 PPARA (0.44) PPARAPPARG
SCHEMBL3961525 0.82 TBXAS1 (0.44) SMN1; SMN2LMNAHTTALDH1A1TBXA2R
SCHEMBL3957381 0.80 PPARA (0.45) SMN1; SMN2PPARAPPARG
SCHEMBL3961695 0.80 PPARA (0.41) NPC1RAB9APPARAPPARG
SCHEMBL3959581 0.80 PPARA (0.49) PPARAPPARG

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1989192-B1 1,3-DIOXANE CARBOXYLIC ACIDS CADILA HEALTHCARE LTD (IN) 2009-07-22 EP claimed