SCHEMBL5268912

SCHEMBL5268912

Cc1c(O)cccc1NCC(O)CO.Cc1ccc(NCCCO)cc1O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.43
BRD4 O60885 1/20 0.35
MAPT P10636 2/20 0.33
GAA P10253 2/20 0.33
LMNA P02545 1/20 0.33
TP53 P04637 1/20 0.33
MAPK1 P28482 1/20 0.33
HSD17B10 Q99714 1/20 0.33
CYP1A2 P05177 2/20 0.33
CYP2D6 P10635 2/20 0.33
CYP2C9 P11712 2/20 0.33
CYP2C19 P33261 2/20 0.33
MEN1 O00255 1/20 0.33
CYP3A4 P08684 1/20 0.33
KMT2A Q03164 1/20 0.33
IDH2 P48735 3/20 0.32
TUBB4A P04350 1/20 0.32
TUBB P07437 1/20 0.32
TUBA3C P0DPH7 1/20 0.32
TUBA1B P68363 1/20 0.32

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
SCHEMBL456864 0.81 MAPT (0.43) ALDH1A1MAPTGAALMNATP53
SCHEMBL7157690 0.80 TP53 (0.38) ALDH1A1BRD4MAPTGAALMNA
SCHEMBL456096 0.78 ALDH1A1 (0.67) ALDH1A1BRD4MAPTGAALMNA
SCHEMBL30202433 0.78 ALDH1A1 (0.67) ALDH1A1BRD4MAPTGAALMNA
SCHEMBL5809523 0.75 MAPT (0.47) ALDH1A1BRD4MAPTGAALMNA
SCHEMBL10601266 0.71 MAPT (0.47) ALDH1A1MAPTGAALMNATP53
SCHEMBL6390338 0.70 ALDH1A1 (0.42) ALDH1A1MAPTGAACYP1A2CYP2D6
SCHEMBL29428385 0.69 ALDH1A1 (0.56) ALDH1A1MAPTGAALMNAMAPK1
SCHEMBL95129 0.69 ALDH1A1 (0.56) ALDH1A1MAPTGAALMNAMAPK1
SCHEMBL5715031 0.68 ALDH1A1 (0.52) ALDH1A1MAPTGAALMNAHSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1847526-A1 Coupling compounds and hair dyeing compositions containg them DyStar Textilfarben GmbH & Co. Deutschland KG (DE) 2007-10-24 EP disclosed