SCHEMBL8662965

SCHEMBL8662965

COC(OC)(OC(c1ccccc1)(c1ccccc1)c1ccccc1)C1CC(O)CN1C(=O)c1cccnc1

nearest known ligand 0.53

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 4/20 0.53
TDP1 Q9NUW8 2/20 0.39
POLB P06746 1/20 0.39
LMNA P02545 3/20 0.39
MMP2 P08253 1/20 0.37
ANPEP P15144 1/20 0.37
CHRNB2 P17787 1/20 0.37
CHRNB4 P30926 1/20 0.37
CHRNA3 P32297 1/20 0.37
CHRNA7 P36544 1/20 0.37
CHRNA4 P43681 1/20 0.37
ALDH1A1 P00352 2/20 0.37
RIPK1 Q13546 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
HPGD P15428 1/20 0.36
ABCB1 P08183 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36

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 0.80 RIPK1 (0.37) PIK3CDLMNARIPK1
SCHEMBL8662095 0.78 PIK3CD (0.40) PIK3CDRIPK1
SCHEMBL8662712 0.78 RIPK1 (0.38) PIK3CDLMNARIPK1
SCHEMBL8662813 0.78 KMT2A (0.36) PIK3CDRIPK1HPGDSMN1; SMN2
SCHEMBL6858149 0.77 OPRK1 (0.38) PIK3CDPOLBLMNAALDH1A1RIPK1
SCHEMBL8809230 0.77 PIK3CD (0.34) PIK3CDRIPK1
SCHEMBL8659654 0.76 RIPK1 (0.36) PIK3CDALDH1A1RIPK1
SCHEMBL8661346 0.74 RIPK1 (0.31) PIK3CDALDH1A1RIPK1
SCHEMBL6798554 0.74 FABP5 (0.37) POLBRIPK1
SCHEMBL8807967 0.74 GAA (0.35) TDP1ALDH1A1RIPK1SMN1; SMN2

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