SCHEMBL10489672

SCHEMBL10489672

CC(O)COC=Cc1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.48
TP53 P04637 2/20 0.42
CYP2D6 P10635 2/20 0.42
HSD17B10 Q99714 2/20 0.42
NPC1 O15118 1/20 0.42
MTOR P42345 1/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2C9 P11712 1/20 0.42
MAPK1 P28482 1/20 0.42
CYP2C19 P33261 1/20 0.42
HTR2A P28223 3/20 0.42
CHRNA7 P36544 2/20 0.41
KDM4E B2RXH2 2/20 0.41
HPGD P15428 2/20 0.41
CHRNB2 P17787 1/20 0.41
GMNN O75496 1/20 0.41
PMP22 Q01453 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
AHR P35869 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
SCHEMBL5670358 0.85 NPC1 (0.45) LMNATP53CYP2D6HSD17B10NPC1
SCHEMBL7770602 0.85 NPC1 (0.45) LMNATP53CYP2D6HSD17B10NPC1
SCHEMBL8383667 0.80 TP53 (0.41) LMNATP53CYP2D6HSD17B10NPC1
SCHEMBL4907279 0.80 TP53 (0.41) LMNATP53CYP2D6HSD17B10NPC1
SCHEMBL11793042 0.79 TRPA1 (0.42) LMNATP53CYP2D6HSD17B10NPC1
SCHEMBL989084 0.79 MEN1 (0.41) LMNATP53CYP2D6HSD17B10NPC1
SCHEMBL10489563 0.75 IDO1 (0.50) LMNATP53CYP2D6HSD17B10NPC1
SCHEMBL8057322 0.74 HTR2A (0.42) LMNATP53CYP2D6HSD17B10NPC1
SCHEMBL17836905 0.74 RELA (0.53) LMNATP53CYP2D6HSD17B10NPC1
SCHEMBL60042 0.74 RELA (0.53) LMNATP53CYP2D6HSD17B10NPC1

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
US-4847332-A USING A VINYL-FUNCTIONAL ALCOHOL AS A PROPAGATOR FOR THE CATIONIC RING-OPENING POLYMERIZATION OF CYCLIC FORMALS; GRAFT AND COMB POLYMERS THE B. F. GOODRICH COMPANY (US) 1989-07-11 US disclosed
US-4791189-A USING PRIMARY OR SECONDARY UNSATURATED ALCOHOLS AS PROPAGATORS AND OXONIUM OR ETHERATE CATALYSTS; POLYESTERETHERS; BLOCK AND COMB POLYMERS THE B. F. GOODRICH COMPANY (US) 1988-12-13 US disclosed
EP-0291761-A2 Terminally unsaturated macromolecular monomers of polylactones and copolymers thereof THE B.F. GOODRICH COMPANY (US) 1988-11-23 EP disclosed