SCHEMBL3383370

SCHEMBL3383370

CCCCC(CC)C[N]CC

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.50
TDP1 Q9NUW8 2/20 0.50
CYP3A4 P08684 5/20 0.48
TSHR P16473 5/20 0.48
USP2 O75604 3/20 0.43
MEN1 O00255 2/20 0.43
TP53 P04637 2/20 0.43
KMT2A Q03164 2/20 0.43
LMNA P02545 2/20 0.43
CYP2D6 P10635 2/20 0.43
CYP1A2 P05177 1/20 0.43
CYP2C9 P11712 1/20 0.43
CYP2C19 P33261 1/20 0.43
HIF1A Q16665 1/20 0.43
BCL2L1 Q07817 3/20 0.42
BAK1 Q16611 3/20 0.42
ALOX15 P16050 1/20 0.42
MAPK1 P28482 1/20 0.42
HTT P42858 1/20 0.42
BLM P54132 1/20 0.42

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
SCHEMBL1052649 0.90 ALDH1A1 (0.54) ALDH1A1TDP1CYP3A4TSHRUSP2
SCHEMBL7645957 0.85 ALDH1A1 (0.32) ALDH1A1TDP1CYP3A4TSHRUSP2
SCHEMBL2404144 0.84 ALDH1A1 (0.48) ALDH1A1TDP1CYP3A4TSHRUSP2
SCHEMBL331210 0.80 ALDH1A1 (0.45) ALDH1A1TDP1CYP3A4TSHRUSP2
SCHEMBL9204879 0.80 USP2 (0.51) ALDH1A1TDP1CYP3A4TSHRUSP2
SCHEMBL6418725 0.79
SCHEMBL7170315 0.78 ALDH1A1 (0.52) ALDH1A1TDP1CYP3A4TSHRUSP2
SCHEMBL4281881 0.76 ALDH1A1 (0.62) ALDH1A1TDP1CYP3A4TSHRLMNA
SCHEMBL12999381 0.76 ALDH1A1 (0.50) ALDH1A1TDP1CYP3A4TSHRUSP2
SCHEMBL387001 0.76

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-2009070-B1 Ink-jet ink and method of producing the same, color filter and method of producing the same, display device, and method of forming functional film FUJIFILM CORP (JP) 2010-11-24 EP disclosed
US-20090035535-A1 INK-JET INK AND METHOD OF PRODUCING THE SAME, COLOR FILTER AND METHOD OF PRODUCING THE SAME, DISPLAY DEVICE, AND METHOD OF FORMING FUNCTIONAL FILM FUJIFILM CORPORATION (JP) 2009-02-05 US disclosed
EP-2009070-A1 Ink-jet ink and method of producing the same, color filter and method of producing the same, display device, and method of forming functional film FUJIFILM Corporation (JP) 2008-12-31 EP disclosed