SCHEMBL6855036

SCHEMBL6855036

CCN(CC)CC.O=C(O)CNC(=O)C(F)(F)F

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 1/20 0.43
ALDH1A1 P00352 2/20 0.42
POLB P06746 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
CA3 P07451 2/20 0.37
CA5A P35218 2/20 0.37
CA5B Q9Y2D0 2/20 0.37
CA14 Q9ULX7 2/20 0.37
CA2 P00918 2/20 0.37
CA12 O43570 1/20 0.37
CA4 P22748 1/20 0.37
CA6 P23280 1/20 0.37
CA7 P43166 1/20 0.37
CA9 Q16790 1/20 0.37
EGLN1 Q9GZT9 2/20 0.36
LMNA P02545 1/20 0.34
MAPT P10636 1/20 0.34
PTGS2 P35354 1/20 0.34

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
SCHEMBL1460181 0.85 ALDH1A1 (0.54) EPHX1ALDH1A1POLBSMN1; SMN2MEN1
SCHEMBL11799968 0.78 ALDH1A1 (0.46) EPHX1ALDH1A1POLBSMN1; SMN2MEN1
SCHEMBL15034385 0.78 ALDH1A1 (0.46) EPHX1ALDH1A1POLBSMN1; SMN2MEN1
SCHEMBL29027543 0.75 EPHX1 (0.54) EPHX1ALDH1A1POLBSMN1; SMN2MEN1
SCHEMBL9138159 0.74 ALDH1A1 (0.52) EPHX1ALDH1A1POLBSMN1; SMN2MEN1
Trifluoroacetic Acid SCHEMBL3708677 0.74 MLYCD (0.36) MEN1KMT2APPIP5K2
Trifluoroacetic Acid SCHEMBL726303 0.74 MLYCD (0.36) MEN1KMT2APPIP5K2
Trifluoroacetic Acid SCHEMBL3708678 0.74 MLYCD (0.36) MEN1KMT2APPIP5K2
SCHEMBL12334721 0.74 EGLN1 (0.39) EPHX1ALDH1A1POLBSMN1; SMN2MEN1
Acetic Acid SCHEMBL7510069 0.73 EPHX1 (0.50) EPHX1ALDH1A1POLBSMN1; SMN2MEN1

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