SCHEMBL8447985

SCHEMBL8447985

Nc1cc(N(CCO)CCO)ccc1N1CCCC1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.50
GAA P10253 6/20 0.50
HTT P42858 4/20 0.50
S100B P04271 2/20 0.49
KDM4E B2RXH2 6/20 0.47
L3MBTL1 Q9Y468 3/20 0.47
TDP1 Q9NUW8 3/20 0.47
HSD17B10 Q99714 3/20 0.47
POLB P06746 2/20 0.47
LMNA P02545 3/20 0.46
RAB9A P51151 2/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
NPSR1 Q6W5P4 2/20 0.43
NPC1 O15118 1/20 0.43
KEAP1 Q14145 2/20 0.41
MEN1 O00255 4/20 0.38
MAPT P10636 4/20 0.38
KMT2A Q03164 4/20 0.38
ALOX15 P16050 2/20 0.38
PKM P14618 1/20 0.38

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
Sulfuric Acid SCHEMBL7807196 0.93 RAB9A (0.46) ALDH1A1GAAHTTS100BKDM4E
Sulfuric Acid SCHEMBL7517555 0.87 ALDH1A1 (0.39) ALDH1A1GAAHTTS100BKDM4E
SCHEMBL7805754 0.76 ALDH1A1 (0.55) ALDH1A1GAAHTTKDM4EL3MBTL1
SCHEMBL11308943 0.75 GAA (0.57) ALDH1A1GAAHTTKDM4EL3MBTL1
SCHEMBL16815119 0.75 KMT2A (0.42) ALDH1A1GAAHTTS100BKDM4E
SCHEMBL6752754 0.72 ALDH1A1 (0.41) ALDH1A1GAAHTTS100BKDM4E
SCHEMBL358763 0.71 S100B (0.59) ALDH1A1GAAHTTS100BKDM4E
SCHEMBL7519583 0.70 ALDH1A1 (0.56) ALDH1A1GAAHTTKDM4EL3MBTL1
SCHEMBL1136241 0.70 ALDH1A1 (0.93) ALDH1A1GAAHTTS100BKDM4E
SCHEMBL29937765 0.70 ALDH1A1 (0.93) ALDH1A1GAAHTTS100BKDM4E

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-0912160-A2 OXIDATION DYES Hans Schwarzkopf GmbH & Co. KG (DE) 1999-05-06 EP disclosed
WO-1998001106-A2 OXIDATION DYES HANS SCHWARZKOPF GMBH & CO. KG (DE) 1998-01-15 WO disclosed