SCHEMBL7653761

SCHEMBL7653761

CCC(OCCOCCOC)C(=O)O

nearest known ligand 0.34

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.34
CYP4F2 P78329 3/20 0.33
CYP4A11 Q02928 3/20 0.33
ALDH1A1 P00352 2/20 0.31
DDAH1 O94760 1/20 0.31
KDM4E B2RXH2 1/20 0.31
CA2 P00918 1/20 0.31
ABCB11 O95342 1/20 0.31
CYP3A4 P08684 1/20 0.31
ADRA2B P18089 1/20 0.31
OPRD1 P41143 1/20 0.31
SCN5A Q14524 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
SCHEMBL5830472 1.00 SMN1; SMN2 (0.34) SMN1; SMN2CYP4F2CYP4A11ALDH1A1DDAH1
SCHEMBL3426355 0.94 SMN1; SMN2 (0.37) SMN1; SMN2CYP4F2CYP4A11ALDH1A1DDAH1
SCHEMBL27213086 0.86 ALDH1A1 (0.32) ALDH1A1DDAH1KDM4ECA2
SCHEMBL29257033 0.86 ALDH1A1 (0.32) ALDH1A1DDAH1KDM4ECA2
SCHEMBL7648423 0.85 PPARG (0.40) DDAH1ABCB11CYP3A4ADRA2BOPRD1
SCHEMBL12171733 0.85 ALDH1A1 (0.33) ALDH1A1DDAH1KDM4ECA2
SCHEMBL28789913 0.85 MEN1 (0.42) SMN1; SMN2CYP4F2CYP4A11ALDH1A1
SCHEMBL16246663 0.84 ALDH1A1 (0.43) SMN1; SMN2CYP4F2CYP4A11ALDH1A1
SCHEMBL4782571 0.83 TSHR (0.42) SMN1; SMN2CYP4F2CYP4A11ALDH1A1KDM4E
SCHEMBL1904784 0.83 CPB2 (0.40) SMN1; SMN2CYP4F2CYP4A11

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6350795-B1 ACOUSTIC PHASE-CHANGE CONDUCTIVE INK CONTAINING LOW MOLECULAR WEIGHT OXYALKYLENE SEGMENTS COMPLEXED WITH UREA DERIVATIVES XEROX CORPORATION 2002-02-26 US disclosed
US-6096125-A Ink compositions XEROX CORPORATION (US) 2000-08-01 US disclosed