SCHEMBL1551245

SCHEMBL1551245

CCCCC(CC)COc1ccc(-c2nc(-c3ccc(OCC(CC)CCCC)cc3O)nc(-c3cccn3C)n2)c(O)c1.c1cnnnc1

nearest known ligand 0.33

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.33
PSEN1 P49768 1/20 0.32
PSEN2 P49810 1/20 0.32
APH1B Q8WW43 1/20 0.32
NCSTN Q92542 1/20 0.32
APH1A Q96BI3 1/20 0.32
PSENEN Q9NZ42 1/20 0.32
ALDH1A1 P00352 2/20 0.31
CA2 P00918 1/20 0.31
CYP3A4 P08684 1/20 0.31
TSHR P16473 1/20 0.31
MAPK1 P28482 1/20 0.31
HRH3 Q9Y5N1 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
SCHEMBL268986 0.94 LMNA (0.36) LMNAPSEN1PSEN2APH1BNCSTN
SCHEMBL13492209 0.93 LMNA (0.35) LMNAPSEN1PSEN2APH1BNCSTN
SCHEMBL1704092 0.88 LMNA (0.35) LMNAPSEN1PSEN2APH1BNCSTN
Bemotrizinol SCHEMBL7526147 0.83 TDP1 (0.38) LMNAALDH1A1CYP3A4TSHRMAPK1
SCHEMBL7217044 0.82 LMNA (0.42) LMNAALDH1A1CA2CYP3A4TSHR
SCHEMBL3223605 0.81 CYP3A4 (0.42) LMNAALDH1A1CA2CYP3A4TSHR
SCHEMBL3226436 0.80 LMNA (0.35) LMNAALDH1A1CA2CYP3A4TSHR
SCHEMBL28638598 0.79 LMNA (0.40) LMNAALDH1A1CA2CYP3A4TSHR
SCHEMBL28482241 0.79 LMNA (0.37) LMNAALDH1A1TSHRMAPK1
SCHEMBL6705841 0.78 GPR88 (0.35) LMNAALDH1A1HRH3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2313076-A2 RINSE-OFF PRODUCTS HAVING A BENEFICIAL EFFECT ON THE SKIN Henkel AG & Co. KGaA (DE) 2011-04-27 EP disclosed
WO-2010003843-A2 RINSE-OFF PRODUCTS HAVING A BENEFICIAL EFFECT ON THE SKIN HENKEL AG & CO. KGAA (DE) 2010-01-14 WO disclosed