SCHEMBL28059282

SCHEMBL28059282

CCCCC(=O)NCC(C)(C)C=O

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
FAAH O00519 7/20 0.46
CASP2 P42575 1/20 0.40
HDAC3 O15379 1/20 0.40
HDAC4 P56524 1/20 0.40
HDAC1 Q13547 1/20 0.40
HDAC7 Q8WUI4 1/20 0.40
HDAC2 Q92769 1/20 0.40
HDAC10 Q969S8 1/20 0.40
HDAC11 Q96DB2 1/20 0.40
HDAC8 Q9BY41 1/20 0.40
HDAC6 Q9UBN7 1/20 0.40
HDAC9 Q9UKV0 1/20 0.40
HDAC5 Q9UQL6 1/20 0.40
CNR1 P21554 2/20 0.39
HPGD P15428 2/20 0.39
ALDH1A1 P00352 2/20 0.39
DNM1 Q05193 1/20 0.39
HSP90AA1 P07900 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
SCHEMBL12285501 0.80 FAAH (0.52) FAAHCASP2HPGDALDH1A1DNM1
SCHEMBL30516917 0.79 FAAH (0.50) FAAHCASP2CNR1HPGDALDH1A1
SCHEMBL3689445 0.75 CASP2 (0.50) FAAHCASP2CNR1ALDH1A1DNM1
SCHEMBL14842883 0.75 FAAH (0.50) FAAHCASP2CNR1HPGDALDH1A1
SCHEMBL12285493 0.75 FAAH (0.61) FAAHCASP2ALDH1A1DNM1HSP90AA1
SCHEMBL26156280 0.74 FAAH (0.46) FAAHCASP2CNR1HPGDALDH1A1
SCHEMBL13701833 0.73 FAAH (0.64) FAAHCASP2DNM1HSP90AA1
SCHEMBL24333630 0.72 FAAH (0.58) FAAHCASP2CNR1HPGDALDH1A1
SCHEMBL31560149 0.72 FAAH (0.62) FAAHCASP2CNR1DNM1HSP90AA1
SCHEMBL12572413 0.72 FAAH (0.62) FAAHCASP2CNR1DNM1HSP90AA1

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
CN-103261145-B There is the amine of secondary aliphatic amino group SIKA TECHNOLOGY AG (CH) 2016-04-13 CN claimed
CN-103261145-B There is the amine of secondary aliphatic amino group SIKA TECHNOLOGY AG (CH) 2016-04-13 CN disclosed