SCHEMBL5470869

SCHEMBL5470869

CCC(=O)CCNCCC(=O)CC

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.50
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
ALDH1A1 P00352 3/20 0.35
FFAR3 O14843 2/20 0.35
PAOX Q6QHF9 3/20 0.34
IAPP P10997 2/20 0.33
HDAC3 O15379 2/20 0.32
HDAC1 Q13547 2/20 0.32
HDAC2 Q92769 2/20 0.32
HDAC8 Q9BY41 2/20 0.32
HDAC6 Q9UBN7 1/20 0.32
CES2 O00748 1/20 0.32
CES1 P23141 1/20 0.32
CTSD P07339 1/20 0.31
THRA P10827 1/20 0.31
THRB P10828 1/20 0.31
NPC1 O15118 1/20 0.31
RAB9A P51151 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31

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
SCHEMBL24127773 0.92 PAOX (0.45) TDP1MEN1KMT2AALDH1A1FFAR3
SCHEMBL14567195 0.89
SCHEMBL9940233 0.88 TSHR (0.46) TDP1ALDH1A1PAOXHDAC1HDAC2
SCHEMBL27657825 0.88 TDP1 (0.39) TDP1MEN1KMT2A
SCHEMBL17265955 0.88 CA12 (0.46) TDP1MEN1KMT2AALDH1A1PAOX
SCHEMBL27657830 0.85
SCHEMBL11605560 0.80
SCHEMBL11500623 0.79
SCHEMBL619312 0.77 TDP1 (0.69) TDP1ALDH1A1FFAR3IAPPHDAC3
SCHEMBL8558665 0.76 MEN1 (0.61) TDP1MEN1KMT2AALDH1A1

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-0205068-B1 LYSERGIC-ACID AMIDES, PROCESS FOR THEIR PREPARATION AND MEDICAMENTS CONTAINING THEM ARZNEIMITTELWERK DRESDEN GmbH (DE) 1992-01-02 EP claimed
US-20070210476-A1 Machinable Resin Molded Product, Material For Forming The Same, And Model Made Of The Same SANYO CHEMICAL INDUSTRIES, LTD. (JP) 2007-09-13 US disclosed
EP-1728832-A1 MOLDING OF RESIN FOR CUTTING OPERATION, MATERIAL FOR FORMATION THEREOF AND MODEL Sanyo Chemical Industries, Ltd. (JP) 2006-12-06 EP disclosed