Ether

Ether

SCHEMBL7627092

CCOCC.c1ccc(Pc2ccccc2)cc1

nearest known ligand 0.37

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Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 1/20 0.37
TP53 P04637 1/20 0.36
ALDH1A1 P00352 2/20 0.35
TSHR P16473 3/20 0.35
RELA Q04206 1/20 0.33
KDM4E B2RXH2 1/20 0.33
POLB P06746 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
L3MBTL1 Q9Y468 2/20 0.32
KCNH2 Q12809 1/20 0.32
GLA P06280 1/20 0.32
RAB9A P51151 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31

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
Triphenylphosphine Oxide SCHEMBL27465043 0.84 MEN1 (0.49) ALDH1A1NPSR1L3MBTL1KCNH2SMN1; SMN2
Propane SCHEMBL372201 0.84 TP53 (0.43) LTA4HTP53ALDH1A1TSHRGLA
Propane SCHEMBL1423596 0.84 TP53 (0.43) LTA4HTP53ALDH1A1TSHRGLA
SCHEMBL9116127 0.82 SMN1; SMN2 (0.33) TP53ALDH1A1KDM4EL3MBTL1GLA
Butane SCHEMBL2218261 0.81 TP53 (0.41) LTA4HTP53ALDH1A1TSHRKDM4E
Propane SCHEMBL27484901 0.81 TP53 (0.41) LTA4HTP53ALDH1A1TSHRGLA
Propane SCHEMBL28226117 0.81 TP53 (0.41) TP53ALDH1A1TSHRNPSR1GLA
Propane SCHEMBL5024454 0.81 TP53 (0.41) TP53ALDH1A1TSHRNPSR1GLA
Butane SCHEMBL3883260 0.81 TP53 (0.41) LTA4HTP53ALDH1A1TSHRKDM4E
Propane SCHEMBL27693170 0.81 TP53 (0.41) LTA4HTP53ALDH1A1TSHRGLA

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4055582-A Synthesis of nickel and palladium organophosphorus complexes PHILLIPS PETROLEUM COMPANY (US) 1977-10-25 US claimed
US-6441233-B1 CARBONYLATION, AMIDATION; IN PRESENCE OF ACYLATION CATALYST SOLVIAS AG (CH) 2002-08-27 US disclosed
EP-1140796-A1 PROCESS FOR THE PREPARATION OF AROMATIC CARBOXYLIC ACID AMIDES Solvias AG (CH) 2001-10-10 EP disclosed
WO-2000037428-A1 PROCESS FOR THE PREPARATION OF AROMATIC CARBOXYLIC ACID AMIDES SOLVIAS AG (CH) 2000-06-29 WO disclosed