SCHEMBL7797763

SCHEMBL7797763

CN(C)CCCCN(CCCN)C(=O)OC(C)(C)C

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA14 Q9ULX7 1/20 0.50
TDP1 Q9NUW8 1/20 0.35
HDAC1 Q13547 1/20 0.34
HDAC2 Q92769 1/20 0.34
HDAC6 Q9UBN7 1/20 0.34
LMNA P02545 1/20 0.33
ALDH1A1 P00352 1/20 0.32
TSHR P16473 1/20 0.32
ACHE P22303 1/20 0.32
CHRM2 P08172 2/20 0.32
CHRM4 P08173 1/20 0.32
CHRM5 P08912 1/20 0.32
CHRM1 P11229 1/20 0.32
CHRNB2 P17787 1/20 0.32
CHRM3 P20309 1/20 0.32
CHRNA4 P43681 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
USP2 O75604 1/20 0.31
KDM4E B2RXH2 1/20 0.31
SSTR4 P31391 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
SCHEMBL1274075 0.93 CA14 (0.55) CA14TDP1HDAC1HDAC2HDAC6
SCHEMBL10226299 0.91 CA14 (0.54) CA14HDAC1HDAC2HDAC6ACHE
SCHEMBL10226292 0.91 CA14 (0.54) CA14HDAC1HDAC2HDAC6ACHE
SCHEMBL1274108 0.91 CA14 (0.54) CA14HDAC1HDAC2HDAC6ACHE
SCHEMBL5460363 0.91 CA14 (0.53) CA14TDP1HDAC1HDAC2HDAC6
SCHEMBL31324971 0.90 CA14 (0.51) CA14TDP1HDAC1HDAC2HDAC6
SCHEMBL7207297 0.88 CA14 (0.54) CA14TDP1HDAC1HDAC2HDAC6
SCHEMBL7947788 0.88 CA14 (0.54) CA14TDP1HDAC1HDAC2HDAC6
SCHEMBL7202844 0.88 CA14 (0.54) CA14TDP1HDAC1HDAC2HDAC6
SCHEMBL3471151 0.88 CA14 (0.53) CA14TDP1HDAC1HDAC2HDAC6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0749437-B1 PHARMACEUTICAL USES OF STEROID DERIVATIVES MAGAININ PHARMA (US) 2001-12-05 EP disclosed
EP-0688333-B1 STEROID DERIVATIVES, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM, AND THEIR USE AS ANTIBIOTICS OR DISINFECTANTS MAGAININ PHARMA (US) 1998-08-19 EP disclosed
US-5733899-A Method for treating infection using steroid based pharmaceutical compositions MAGAININ PHARMACEUTICALS INC. (US) 1998-03-31 US disclosed
US-5721226-A Method for inhibiting angiogenesis using squalamine and squalamine steroid derivatives MAGAININ PHARMACEUTICALS INC. (US) 1998-02-24 US disclosed
US-5637691-A STEROIDS HAVING POLYAMINE SIDE CHAIN; BACTERICIDES, FUNGICIDES, ANTIPROTOZOA AGENTS MAGAININ PHARMACEUTICALS, INC. (US) 1997-06-10 US disclosed
EP-0688333-A1 STEROID DERIVATIVES, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM, AND THEIR USE AS ANTIBIOTICS OR DISINFECTANTS MAGAININ PHARMACEUTICALS INC. (US) 1995-12-27 EP disclosed
WO-1994020520-A1 STEROID DERIVATIVES, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM, AND THEIR USE AS ANTIBIOTICS OR DISINFECTANTS MAGAININ PHARMACEUTICALS INC. (US) 1994-09-15 WO disclosed