SCHEMBL8728441

SCHEMBL8728441

CCOC(=O)Cc1ccc2c(c1)CC(OC(C)=O)C2

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.39
NPC1 O15118 1/20 0.39
PKM P14618 1/20 0.39
NFKB1 P19838 1/20 0.39
RAB9A P51151 1/20 0.39
NFKB2 Q00653 1/20 0.39
RELA Q04206 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
CYP4Z1 Q86W10 1/20 0.39
LDHA P00338 1/20 0.37
MAPT P10636 2/20 0.37
CYP4F2 P78329 1/20 0.37
CYP4A11 Q02928 1/20 0.37
DRD2 P14416 1/20 0.36
DRD3 P35462 1/20 0.36
LMNA P02545 1/20 0.36
LIPE Q05469 1/20 0.36
FDFT1 P37268 1/20 0.35
TBXA2R P21731 1/20 0.35
MAOB P27338 1/20 0.35

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
SCHEMBL19726331 0.83 AKT1 (0.36) NPC1RAB9ADRD2DRD3TBXA2R
SCHEMBL24650439 0.82 CA1 (0.41) SMN1; SMN2NPC1PKMNFKB1RAB9A
SCHEMBL11528818 0.82 TBXA2R (0.42) SMN1; SMN2NPC1PKMNFKB1RAB9A
SCHEMBL11527975 0.80 SMN1; SMN2 (0.39) SMN1; SMN2NPC1PKMNFKB1RAB9A
Methane SCHEMBL11529454 0.79 SMN1; SMN2 (0.39) SMN1; SMN2NPC1PKMNFKB1RAB9A
SCHEMBL8728437 0.79 FFAR1 (0.44) SMN1; SMN2NPC1PKMNFKB1RAB9A
SCHEMBL31478141 0.77 LMNA (0.46) SMN1; SMN2NPC1PKMNFKB1RAB9A
SCHEMBL6834905 0.76 DRD3 (0.48) SMN1; SMN2NPC1PKMNFKB1RAB9A
SCHEMBL9453775 0.75 OPRK1 (0.48) CYP4F2CYP4A11DRD2DRD3
Hydrochloric Acid SCHEMBL9368908 0.74 OPRK1 (0.47) CYP4F2CYP4A11DRD2DRD3

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
US-5750524-A ADMINISTERING AN SULFAMIDE SUBSTITUTED INDAN DERIVATIVE ZERIA PHARMACEUTICAL CO., LTD. (JP) 1998-05-12 US disclosed