SCHEMBL17883165

SCHEMBL17883165

CCCC(C)(CC)C(=O)NCC

nearest known ligand 0.35

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.35
FAAH O00519 1/20 0.33
KMT2A Q03164 2/20 0.33
MEN1 O00255 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
MMP1 P03956 1/20 0.32
MMP2 P08253 1/20 0.32
MMP3 P08254 1/20 0.32
MMP9 P14780 1/20 0.32
MMP8 P22894 1/20 0.32
EPHX1 P07099 2/20 0.32
LMNA P02545 1/20 0.31
HSD17B10 Q99714 1/20 0.31
RIPK1 Q13546 1/20 0.31
KDM4C Q9H3R0 1/20 0.31
MCL1 Q07820 1/20 0.30

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
SCHEMBL22043190 0.91 ALDH1A1 (0.38) ALDH1A1FAAHKMT2AMEN1TDP1
SCHEMBL17814159 0.86 MMP1 (0.37) ALDH1A1FAAHKMT2AMMP1MMP2
SCHEMBL25096996 0.83 FAAH (0.39) ALDH1A1FAAHKMT2AMEN1TDP1
SCHEMBL21017161 0.80 EPHX1 (0.34) ALDH1A1EPHX1KDM4C
SCHEMBL13993866 0.80 EPHX1 (0.34) ALDH1A1EPHX1LMNAHSD17B10KDM4C
SCHEMBL13970274 0.80 ALDH1A1 (0.36) ALDH1A1KMT2AMEN1TDP1LMNA
SCHEMBL14529763 0.80 ALDH1A1 (0.36) ALDH1A1KMT2AMEN1TDP1MMP9
SCHEMBL25574934 0.79 ALDH1A1 (0.31) ALDH1A1
SCHEMBL20363325 0.79 PLA2G2A (0.41) ALDH1A1FAAHKMT2AMEN1EPHX1
SCHEMBL21017854 0.77 DNM1 (0.44) ALDH1A1KMT2AEPHX1

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
US-20160190478-A1 ORGANIC ELECTROLUMINESCENT DEVICE KYUSHU UNIVERSITY, NATIONAL UNIVERSITY CORPORATION (JP) 2016-06-30 US disclosed