SCHEMBL8661071

SCHEMBL8661071

COC(OC)(OC(c1ccccc1)(c1ccccc1)c1ccccc1)C1CC(O)CN1C(=O)Cc1ccc(OC(=O)c2ccccc2)cc1

nearest known ligand 0.38

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
PRSS1 P07477 2/20 0.36
TMPRSS15 P98073 2/20 0.36
ALDH1A1 P00352 3/20 0.35
LMNA P02545 1/20 0.35
RAB9A P51151 1/20 0.35
HPGD P15428 1/20 0.35
CACNA1B Q00975 2/20 0.34
KMT2A Q03164 3/20 0.34
PKM P14618 1/20 0.34
MEN1 O00255 1/20 0.34
RIPK1 Q13546 1/20 0.34
PIK3CD O00329 1/20 0.33
OPRK1 P41145 1/20 0.33
MAOB P27338 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
SCHEMBL6858149 0.88 OPRK1 (0.38) L3MBTL1ALDH1A1LMNARAB9AHPGD
SCHEMBL8659654 0.79 RIPK1 (0.36) ALDH1A1KMT2AMEN1RIPK1PIK3CD
SCHEMBL8662712 0.77 RIPK1 (0.38) LMNAKMT2AMEN1RIPK1PIK3CD
SCHEMBL8661350 0.77 ITGA4 (0.41) MAPTTDP1L3MBTL1ALDH1A1LMNA
SCHEMBL8660376 0.77 RIPK1 (0.37) MAPTLMNAKMT2AMEN1RIPK1
SCHEMBL8807967 0.76 GAA (0.35) MAPTTDP1ALDH1A1KMT2AMEN1
SCHEMBL8660036 0.76 RIPK1 (0.34) RIPK1PIK3CD
SCHEMBL8662095 0.75 PIK3CD (0.40) KMT2AMEN1RIPK1PIK3CD
SCHEMBL8660383 0.74 SIGMAR1 (0.40) L3MBTL1ALDH1A1KMT2AMEN1RIPK1
SCHEMBL8662813 0.71 KMT2A (0.36) HPGDKMT2AMEN1RIPK1PIK3CD

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