SCHEMBL6686586

SCHEMBL6686586

CCCCC(CC)C1=NCCN1CCO

nearest known ligand 0.38

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.33
TOP2A P11388 1/20 0.33
TOP2B Q02880 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
SCHEMBL6051022 0.88 LMNA (0.37) ALDH1A1TOP2ATOP2B
SCHEMBL9321552 0.85 ALDH1A1 (0.30) ALDH1A1
SCHEMBL6288677 0.80 MEN1 (0.30)
SCHEMBL11585694 0.79 TSHR (0.38) ALDH1A1
SCHEMBL10946290 0.79 FAAH (0.34) ALDH1A1
SCHEMBL9787911 0.78 LMNA (0.36) TOP2ATOP2B
Phosphoric Acid SCHEMBL11584305 0.75 TSHR (0.34)
SCHEMBL9659510 0.74 TOP2A (0.38) TOP2ATOP2B
SCHEMBL224097 0.74 TOP2A (0.40) TOP2ATOP2B
SCHEMBL19034621 0.74 NR1I2 (0.34) ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2004065373-A1 COSURFACTANTS COMPRISING UNSATURATED HETEROCYCLIC HEAD GROUPS BASF AKTIENGESELLSCHAFT (DE) 2004-08-05 WO claimed
US-4298486-A BORIC ACID SALTS AND BORATE ESTERS OF HYDROXYETHYL ALKYL IMIDAZOLINES MOBIL OIL CORPORATION (US) 1981-11-03 US claimed
WO-2004065373-A1 COSURFACTANTS COMPRISING UNSATURATED HETEROCYCLIC HEAD GROUPS BASF AKTIENGESELLSCHAFT (DE) 2004-08-05 WO disclosed
US-5334329-A Containing alkenyl-substituted imidazoline and boron-nitrogen complexes THE LUBRIZOL CORPORATION (US) 1994-08-02 US disclosed
EP-0391993-B1 LUBRICANT COMPOSITIONS AND ADDITIVE CONCENTRATES FOR THEIR PREPARATION LUBRIZOL CORP (US) 1994-06-01 EP disclosed
EP-0391993-A1 LUBRICANT COMPOSITIONS AND ADDITIVE CONCENTRATES FOR THEIR PREPARATION. LUBRIZOL GENETICS INC (US) 1990-10-17 EP disclosed
WO-1990004626-A2 LUBRICANT AND FUNCTIONAL FLUID COMPOSITIONS EXHIBITING IMPROVED DEMULSIBILITY THE LUBRIZOL CORPORATION (US) 1990-05-03 WO disclosed
US-4298486-A BORIC ACID SALTS AND BORATE ESTERS OF HYDROXYETHYL ALKYL IMIDAZOLINES MOBIL OIL CORPORATION (US) 1981-11-03 US disclosed