SCHEMBL6855004

SCHEMBL6855004

COC(CO)(OC)C(c1ccccc1)(c1ccccc1)c1ccccc1

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CES1 P23141 1/20 0.40
KCNN4 O15554 2/20 0.39
ALDH1A1 P00352 3/20 0.39
ALOX15 P16050 1/20 0.39
CYP2C19 P33261 2/20 0.38
CYP1A2 P05177 1/20 0.38
CYP2C9 P11712 1/20 0.38
MAPK1 P28482 1/20 0.37
HIF1A Q16665 1/20 0.35
TAAR1 Q96RJ0 1/20 0.34
KDM4E B2RXH2 2/20 0.34
CHRM3 P20309 2/20 0.34
ESR1 P03372 2/20 0.33
ESR2 Q92731 2/20 0.33
KIF11 P52732 2/20 0.33
CYP3A4 P08684 1/20 0.33
GAA P10253 1/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33

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
SCHEMBL9261644 0.81 OPRM1 (0.36) CES1KCNN4ALDH1A1ALOX15CYP2C19
SCHEMBL28799806 0.81 KCNN4 (0.39) CES1KCNN4ALDH1A1ALOX15CYP2C19
SCHEMBL17941361 0.75 KIF11 (0.35) CES1KCNN4ALDH1A1ALOX15CYP2C19
SCHEMBL9261548 0.75 KIF11 (0.34) CES1KCNN4ALDH1A1ALOX15TAAR1
SCHEMBL11292919 0.74 LMNA (0.45) CES1KCNN4ALDH1A1ALOX15CYP2C19
SCHEMBL8990308 0.74 CES1 (0.42) CES1KCNN4ALDH1A1ALOX15CYP2C19
SCHEMBL670714 0.74 KCNN4 (0.47) CES1KCNN4ALDH1A1ALOX15CYP2C19
SCHEMBL5832056 0.72 ALDH1A1 (0.45) CES1KCNN4ALDH1A1ALOX15CYP2C19
SCHEMBL5133753 0.71 CES1 (0.44) CES1KCNN4ALDH1A1ALOX15CYP2C19
Methoxymethane SCHEMBL28902402 0.71 CHRM3 (0.45) CES1KCNN4ALDH1A1ALOX15CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6828427-B1 Oligomeric aminodiol-containing compounds, libraries thereof, and process of preparing the same ISIS PHARMACEUTICALS, INC. 2004-12-07 US disclosed
US-6184389-B1 FEATURE A PLURALITY OF FUNCTIONAL GROUPS ATTACHED TO BACKBONE AND PHOSPHORAMIDATE SITES ISIS PHARMACEUTICALS, INC. 2001-02-06 US disclosed
EP-0865439-A4 COMBINATORIAL LIBRARIES HAVING AMINODIOL MONOMER SUBUNITS ISIS PHARMACEUTICALS INC (US) 1998-11-11 EP disclosed
EP-0865439-A1 COMBINATORIAL LIBRARIES HAVING AMINODIOL MONOMER SUBUNITS ISIS PHARMACEUTICALS, INC. (US) 1998-09-23 EP disclosed
US-5714606-A OLIGONUCLEOTIDE HAVING RECEPTOR BINDING SITES; ENZYME INHIBITORS, ANTIINFLAMMATORY AGENTS, MEDICAL DIAGNOSIS ISIS PHARMACEUTICALS, INC. (US) 1998-02-03 US disclosed
EP-0739335-A4 PYRROLIDINE-CONTAINING MONOMERS AND OLIGOMERS ISIS PHARMACEUTICALS INC (US) 1997-04-02 EP disclosed
WO-1996040672-A1 COMBINATORIAL LIBRARIES HAVING AMINODIOL MONOMER SUBUNITS ISIS PHARMACEUTICALS, INC. (US) 1996-12-19 WO disclosed
EP-0739335-A1 PYRROLIDINE-CONTAINING MONOMERS AND OLIGOMERS ISIS PHARMACEUTICALS, INC. (US) 1996-10-30 EP disclosed
WO-1995018792-A1 PYRROLIDINE-CONTAINING MONOMERS AND OLIGOMERS ISIS PHARMACEUTICALS, INC. (US) 1995-07-13 WO disclosed