SCHEMBL3837397

SCHEMBL3837397

CCCCC(CO)C(N)N

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.46
LMNA P02545 3/20 0.43
CYP2D6 P10635 2/20 0.43
SPHK1 Q9NYA1 2/20 0.43
TP53 P04637 2/20 0.43
GMNN O75496 1/20 0.43
POLB P06746 1/20 0.43
THPO P40225 1/20 0.43
MTOR P42345 1/20 0.43
BLM P54132 1/20 0.43
KDM4E B2RXH2 1/20 0.43
CYP1A2 P05177 1/20 0.43
CYP3A4 P08684 1/20 0.43
MAPT P10636 1/20 0.43
CETP P11597 1/20 0.43
HTT P42858 1/20 0.43
UBE2N P61088 1/20 0.43
OPRM1 P35372 1/20 0.39
CA1 P00915 1/20 0.37
CA2 P00918 1/20 0.37

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
SCHEMBL6463333 0.84 ALDH1A1 (0.55) ALDH1A1LMNACYP2D6SPHK1TP53
SCHEMBL23352428 0.83 SPHK1 (0.45) ALDH1A1LMNACYP2D6SPHK1TP53
SCHEMBL28085451 0.83 LMNA (0.47) ALDH1A1LMNACYP2D6SPHK1TP53
SCHEMBL9550799 0.83 LMNA (0.47) ALDH1A1LMNACYP2D6SPHK1TP53
SCHEMBL21694617 0.81 ALDH1A1 (0.52) ALDH1A1LMNACYP2D6SPHK1TP53
SCHEMBL14702968 0.81 ALDH1A1 (0.48) ALDH1A1LMNACYP2D6SPHK1TP53
SCHEMBL1168786 0.80 CYP2D6 (0.54) ALDH1A1LMNACYP2D6SPHK1TP53
SCHEMBL27888626 0.79 ALDH1A1 (0.44) ALDH1A1SPHK1TP53CYP3A4OPRM1
SCHEMBL1614709 0.79 ALDH1A1 (0.50) ALDH1A1LMNACYP2D6SPHK1TP53
SCHEMBL15469684 0.77 ALDH1A1 (0.48) ALDH1A1LMNACYP2D6SPHK1TP53

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
EP-1436374-A1 BENEFIT AGENT DELIVERY SYSTEMS THE PROCTER & GAMBLE COMPANY (US) 2004-07-14 EP claimed
WO-2003033636-A1 BENEFIT AGENT DELIVERY SYSTEMS THE PROCTER & GAMBLE COMPANY (US) 2003-04-24 WO claimed
EP-2111443-A2 BENEFIT AGENT DELIVERY COMPOSITIONS The Procter and Gamble Company (US) 2009-10-28 EP disclosed
WO-2008100601-A2 BENEFIT AGENT DELIVERY COMPOSITIONS THE PROCTER & GAMBLE COMPANY (US) 2008-08-21 WO disclosed
EP-1448757-A1 PRO-PERFUME COMPOSITIONS USED IN CLEANING OR FABRIC TREATMENT PRODUCTS THE PROCTER & GAMBLE COMPANY (US) 2004-08-25 EP disclosed
EP-1436374-A1 BENEFIT AGENT DELIVERY SYSTEMS THE PROCTER & GAMBLE COMPANY (US) 2004-07-14 EP disclosed
WO-2003046118-A1 PRO-PERFUME COMPOSITIONS USED IN CLEANING OR FABRIC TREATMENT PRODUCTS THE PROCTER & GAMBLE COMPANY (US) 2003-06-05 WO disclosed
WO-2003033636-A1 BENEFIT AGENT DELIVERY SYSTEMS THE PROCTER & GAMBLE COMPANY (US) 2003-04-24 WO disclosed