SCHEMBL8662813

SCHEMBL8662813

COC(OC)(OC(c1ccccc1)(c1ccccc1)c1ccccc1)C1CC(O)CN1C(=O)c1cccn1C

nearest known ligand 0.36

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.36
PIK3CD O00329 1/20 0.34
CYP3A4 P08684 4/20 0.34
USP2 O75604 3/20 0.34
CYP1A2 P05177 3/20 0.34
TP53 P04637 2/20 0.34
MEN1 O00255 1/20 0.34
HPGD P15428 1/20 0.34
HIF1A Q16665 1/20 0.34
GAA P10253 1/20 0.34
RIPK1 Q13546 1/20 0.33
SMN1; SMN2 Q16637 2/20 0.32
CYP2D6 P10635 1/20 0.32
CYP2C19 P33261 1/20 0.32
MAPK1 P28482 1/20 0.32
RECQL P46063 1/20 0.32
HSD11B1 P28845 1/20 0.32
HPGDS O60760 1/20 0.32
TSHR P16473 1/20 0.32

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
SCHEMBL8660376 0.82 RIPK1 (0.37) KMT2APIK3CDMEN1RIPK1
SCHEMBL8662095 0.80 PIK3CD (0.40) KMT2APIK3CDMEN1RIPK1
SCHEMBL8662712 0.80 RIPK1 (0.38) KMT2APIK3CDMEN1RIPK1
SCHEMBL6858149 0.79 OPRK1 (0.38) KMT2APIK3CDMEN1HPGDRIPK1
SCHEMBL8809230 0.78 PIK3CD (0.34) PIK3CDRIPK1
SCHEMBL8662965 0.78 PIK3CD (0.53) PIK3CDHPGDRIPK1SMN1; SMN2
SCHEMBL8659654 0.77 RIPK1 (0.36) KMT2APIK3CDMEN1RIPK1
SCHEMBL8660413 0.76 POLB (0.46) SMN1; SMN2
SCHEMBL8661346 0.75 RIPK1 (0.31) PIK3CDCYP3A4CYP1A2RIPK1CYP2C19
SCHEMBL8662488 0.75 MTNR1B (0.38) KMT2AMEN1HPGDRIPK1

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-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
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