SCHEMBL14213285

SCHEMBL14213285

CCCC(C)(C)NC(=O)C(C)(C)CC

nearest known ligand 0.53

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.53
RIPK1 Q13546 5/20 0.38
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
TDP1 Q9NUW8 1/20 0.36
EPHX1 P07099 1/20 0.35
LMNA P02545 2/20 0.33
POLB P06746 1/20 0.33
CCR2 P41597 2/20 0.32
HSD17B10 Q99714 1/20 0.31
HPGD P15428 1/20 0.31
DRD2 P14416 1/20 0.31
DRD4 P21917 1/20 0.31
KDM4C Q9H3R0 1/20 0.31
BRD4 O60885 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
SCHEMBL10063312 0.84 EPHX1 (0.42) ALDH1A1RIPK1MEN1KMT2AEPHX1
SCHEMBL25587272 0.82 ALDH1A1 (0.57) ALDH1A1MEN1KMT2ATDP1EPHX1
SCHEMBL22838203 0.80 ALDH1A1 (0.47) ALDH1A1MEN1KMT2ATDP1KDM4C
SCHEMBL27097050 0.80 RIPK1 (0.39) RIPK1LMNAPOLBCCR2
SCHEMBL21203044 0.79 ALDH1A1 (0.46) ALDH1A1MEN1KMT2ATDP1
SCHEMBL13871736 0.79 ALDH1A1 (0.34) ALDH1A1RIPK1EPHX1
SCHEMBL8279456 0.78 POLB (0.43) ALDH1A1RIPK1MEN1KMT2AEPHX1
SCHEMBL29328453 0.77 RIPK1 (0.37) ALDH1A1RIPK1MEN1KMT2ATDP1
SCHEMBL11977553 0.77 RIPK1 (0.42) ALDH1A1RIPK1MEN1KMT2AEPHX1
SCHEMBL21163882 0.76 ALDH1A1 (0.33) ALDH1A1RIPK1

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-7368487-B2 Aqueous ink jet printable compositions 3M INNOVATIVE PROPERTIES COMPANY (US) 2008-05-06 US disclosed