SCHEMBL4454229

SCHEMBL4454229

CCCC(CC)CCO.CCCCC(CC)CO

nearest known ligand 0.78

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.78
LMNA P02545 2/20 0.52
CA2 P00918 4/20 0.47
TDP1 Q9NUW8 2/20 0.46
CYP3A4 P08684 5/20 0.45
TSHR P16473 4/20 0.45
ATM Q13315 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.35
MAPK1 P28482 1/20 0.34

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
SCHEMBL7074611 0.91 ALDH1A1 (0.78) ALDH1A1LMNACA2TDP1CYP3A4
Ethylene Glycol SCHEMBL8663623 0.89 ALDH1A1 (0.90) ALDH1A1LMNACA2TDP1CYP3A4
SCHEMBL13195681 0.89 ALDH1A1 (0.71) ALDH1A1LMNACA2TDP1CYP3A4
SCHEMBL8348320 0.89 ALDH1A1 (0.71) ALDH1A1LMNACA2TDP1CYP3A4
SCHEMBL250960 0.89 ALDH1A1 (0.71) ALDH1A1LMNACA2TDP1CYP3A4
SCHEMBL8420801 0.89
SCHEMBL6249719 0.89 ALDH1A1 (1.00) ALDH1A1LMNACA2TDP1CYP3A4
SCHEMBL9492501 0.89
SCHEMBL16324 0.89
SCHEMBL20602540 0.87 ALDH1A1 (0.78) ALDH1A1LMNACA2TDP1CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1951773-B1 PROCESS FOR PREPARING GRAFT POLYMERS BASF SE (DE) 2009-07-29 EP disclosed
EP-1951773-A1 PROCESS FOR PREPARING GRAFT POLYMERS BASF SE (DE) 2008-08-06 EP disclosed
WO-2007051742-A1 PROCESS FOR PREPARING GRAFT POLYMERS BASF SE (DE) 2007-05-10 WO disclosed