SCHEMBL9859418

SCHEMBL9859418

C=COC(CC)COc1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.46
MAOA P21397 1/20 0.42
PTGS1 P23219 1/20 0.42
SCN4A P35499 2/20 0.41
FFAR1 O14842 1/20 0.39
LTA4H P09960 1/20 0.39
MTNR1A P48039 3/20 0.38
MTNR1B P49286 3/20 0.38
ADRB2 P07550 1/20 0.38
ADRB1 P08588 1/20 0.38
CYP2D6 P10635 1/20 0.38
ADRB3 P13945 1/20 0.38

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
SCHEMBL2168288 0.83 LMNA (0.42) LMNAMAOAPTGS1SCN4AMTNR1A
SCHEMBL11795671 0.82 LMNA (0.47) LMNAMAOAPTGS1SCN4AMTNR1A
SCHEMBL15611441 0.80 BTK (0.33)
SCHEMBL23239453 0.79 LMNA (0.53) LMNAMAOAPTGS1SCN4AMTNR1A
SCHEMBL20995920 0.78 LMNA (0.52) LMNAMAOAPTGS1SCN4ALTA4H
SCHEMBL14587067 0.78 LMNA (0.52) LMNAMAOAPTGS1SCN4ALTA4H
SCHEMBL17395999 0.77 LMNA (0.50) LMNAMAOAPTGS1SCN4ALTA4H
SCHEMBL8426711 0.77 LMNA (0.50) LMNAMAOAPTGS1SCN4ALTA4H
SCHEMBL15668135 0.77 LMNA (0.50) LMNAMAOAPTGS1SCN4ALTA4H
SCHEMBL2780133 0.76 THRB (0.51)

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-0447115-A1 Polyvinylether composition MINNESOTA MINING AND MANUFACTURING COMPANY (US) 1991-09-18 EP disclosed