SCHEMBL9570817

SCHEMBL9570817

NC(=O)/C=C/C=C/C(=O)NCCO

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 5/20 0.45
ALDH1A1 P00352 3/20 0.35
MAPT P10636 2/20 0.35
KMT2A Q03164 2/20 0.35
MEN1 O00255 1/20 0.35
USP2 O75604 1/20 0.35
ITGB2 P05107 2/20 0.33
ICAM1 P05362 2/20 0.33
ITGAL P20701 2/20 0.33
HDAC3 O15379 1/20 0.32
HDAC4 P56524 1/20 0.32
HDAC1 Q13547 1/20 0.32
HDAC7 Q8WUI4 1/20 0.32
HDAC2 Q92769 1/20 0.32
HDAC10 Q969S8 1/20 0.32
HDAC11 Q96DB2 1/20 0.32
HDAC8 Q9BY41 1/20 0.32
HDAC6 Q9UBN7 1/20 0.32
HDAC9 Q9UKV0 1/20 0.32
HDAC5 Q9UQL6 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
SCHEMBL9570820 1.00 CNR2 (0.45) CNR2ALDH1A1MAPTKMT2AMEN1
SCHEMBL8894733 0.89 CNR2 (0.51) CNR2ALDH1A1MAPTKMT2AMEN1
SCHEMBL8897538 0.89 CNR2 (0.51) CNR2ALDH1A1MAPTKMT2AMEN1
SCHEMBL5175940 0.87 ALDH1A1 (0.38) CNR2ALDH1A1MAPTKMT2AMEN1
SCHEMBL5055232 0.87 ALDH1A1 (0.38) CNR2ALDH1A1MAPTKMT2AMEN1
SCHEMBL5028645 0.87 ALDH1A1 (0.38) CNR2ALDH1A1MAPTKMT2AMEN1
SCHEMBL11306763 0.79 ALDH1A1 (0.46) CNR2ALDH1A1MAPTKMT2AMEN1
SCHEMBL679131 0.79 ALDH1A1 (0.46) CNR2ALDH1A1MAPTKMT2AMEN1
SCHEMBL679130 0.79 ALDH1A1 (0.46) CNR2ALDH1A1MAPTKMT2AMEN1
SCHEMBL17197801 0.79 CNR2 (0.50) CNR2ALDH1A1MAPTKMT2AMEN1

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-0550008-A2 Use of N-acyl derivatives of aminoalcohols with polycarboxylic acids for the manufacture of a medicament for the treatment of pathologies relating to mast cells LIFEGROUP S.p.A. (IT) 1993-07-07 EP disclosed