SCHEMBL3960922

SCHEMBL3960922

CC(=NOCCCCC1COC(C)(C(=O)O)OC1C)c1ccccn1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.38
SMN1; SMN2 Q16637 4/20 0.38
L3MBTL1 Q9Y468 2/20 0.38
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
KDM4E B2RXH2 4/20 0.35
HTT P42858 2/20 0.35
MAPT P10636 1/20 0.35
CASP3 P42574 1/20 0.35
SENP8 Q96LD8 1/20 0.35
SENP7 Q9BQF6 1/20 0.35
SENP6 Q9GZR1 1/20 0.35
TDP1 Q9NUW8 2/20 0.35
PPARA Q07869 5/20 0.34
PPARG P37231 3/20 0.34
TBXA2R P21731 5/20 0.34
MITF O75030 2/20 0.34
ALDH1A1 P00352 2/20 0.34
AGTR1 P30556 1/20 0.34
ATM Q13315 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
SCHEMBL3760095 0.87 PPARA (0.46) LMNASMN1; SMN2L3MBTL1NPC1RAB9A
SCHEMBL3760093 0.87 PPARA (0.46) LMNASMN1; SMN2L3MBTL1NPC1RAB9A
SCHEMBL3763466 0.87 PPARA (0.47) LMNASMN1; SMN2L3MBTL1NPC1RAB9A
SCHEMBL3964743 0.84 PPARA (0.38) PPARAPPARG
SCHEMBL3763317 0.83 PPARA (0.41) PPARAPPARG
SCHEMBL3959974 0.83 TBXAS1 (0.41) LMNASMN1; SMN2HTTPPARAPPARG
SCHEMBL3758770 0.82 PPARA (0.42) SMN1; SMN2PPARAPPARGALDH1A1
SCHEMBL3769108 0.81 NPC1 (0.41) NPC1RAB9APPARAPPARGALDH1A1
SCHEMBL3764480 0.81 PPARA (0.46) PPARAPPARG
SCHEMBL3758105 0.81 PPARA (0.38) NPC1RAB9APPARAPPARGALDH1A1

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