SCHEMBL8807967

SCHEMBL8807967

COC(OC)(OC(c1ccccc1)(c1ccccc1)c1ccccc1)C1CC(O)CN1C(=O)Cc1ncc[nH]1

nearest known ligand 0.35

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
GAA P10253 5/20 0.35
HTT P42858 4/20 0.35
ALDH1A1 P00352 3/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
HTR2B P41595 2/20 0.34
KDM4E B2RXH2 3/20 0.33
RIPK1 Q13546 1/20 0.32
RORC P51449 1/20 0.31
OPRM1 P35372 1/20 0.30
MEN1 O00255 1/20 0.30
MAPT P10636 1/20 0.30
KMT2A Q03164 1/20 0.30
TAAR1 Q96RJ0 1/20 0.30
TDP1 Q9NUW8 1/20 0.30

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
SCHEMBL6858149 0.84 OPRK1 (0.38) ALDH1A1RIPK1MEN1KMT2A
SCHEMBL8659654 0.79 RIPK1 (0.36) ALDH1A1KDM4ERIPK1RORCOPRM1
SCHEMBL8661413 0.78 UTS2R (0.38) ALDH1A1HTR2BMEN1KMT2A
SCHEMBL8660376 0.77 RIPK1 (0.37) RIPK1MEN1MAPTKMT2A
SCHEMBL8661071 0.76 MAPT (0.38) ALDH1A1RIPK1MEN1MAPTKMT2A
SCHEMBL8660036 0.76 RIPK1 (0.34) RIPK1
SCHEMBL8662488 0.76 MTNR1B (0.38) RIPK1MEN1KMT2A
SCHEMBL8809230 0.76 PIK3CD (0.34) RIPK1
SCHEMBL8662712 0.75 RIPK1 (0.38) RIPK1OPRM1MEN1KMT2A
SCHEMBL8662095 0.75 PIK3CD (0.40) RIPK1MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0739335-A4 PYRROLIDINE-CONTAINING MONOMERS AND OLIGOMERS ISIS PHARMACEUTICALS INC (US) 1997-04-02 EP 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