Ether

Ether

SCHEMBL11548898

CC(C)=O.CCC(=O)c1ccc(CC(C)C)cc1.CCOCC

nearest known ligand 0.49

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARG P37231 1/20 0.45
PPARA Q07869 1/20 0.45
PTGS1 P23219 3/20 0.42
PTGS2 P35354 3/20 0.42
LMNA P02545 3/20 0.42
CXCR1 P25024 3/20 0.42
CXCR2 P25025 3/20 0.42
CYP2C9 P11712 2/20 0.42
AKR1C3 P42330 2/20 0.42
ALB P02768 1/20 0.42
ESR1 P03372 1/20 0.42
ALOX5 P09917 1/20 0.42
RARB P10826 1/20 0.42
ADRB3 P13945 1/20 0.42
NFKB1 P19838 1/20 0.42
HTR2A P28223 1/20 0.42
NR1I3 Q14994 1/20 0.42
SLC22A6 Q4U2R8 1/20 0.42
CXCL8 P10145 1/20 0.42
TSHR P16473 1/20 0.42

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
SCHEMBL2140146 0.88 PTGS1 (0.52) PPARGPPARAPTGS1PTGS2LMNA
Methoxymethane SCHEMBL11481514 0.87 PPARG (0.49) PPARGPPARAPTGS1PTGS2LMNA
SCHEMBL8128147 0.84 PTGS1 (0.45) PTGS1PTGS2LMNACXCR1CXCR2
SCHEMBL9544312 0.81 THRA (0.46) PTGS1PTGS2LMNACXCR1CXCR2
Ether SCHEMBL28789517 0.77 LOXL2 (0.53) SMN1; SMN2KMT2AMEN1ALDH1A1MAPT
SCHEMBL30089557 0.76 PTGS1 (0.53) PTGS1PTGS2LMNACXCR1CXCR2
SCHEMBL7716957 0.75 MAPT (0.47) PPARGPPARACYP2C9SMN1; SMN2KMT2A
SCHEMBL8083048 0.75 HSD17B3 (0.58) PTGS1PTGS2LMNACXCR1CXCR2
SCHEMBL28403117 0.74 PTGS1 (0.52) PTGS1PTGS2LMNACXCR1CXCR2
SCHEMBL9441164 0.74 PTGS1 (0.52) PTGS1PTGS2LMNACXCR1CXCR2

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-4142054-A TRIVALENT THALLIUM SALT THE UPJOHN COMPANY (US) 1979-02-27 US disclosed