SCHEMBL8913938

SCHEMBL8913938

CC(C)(ON[C]=O)c1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.50
ALDH1A1 P00352 2/20 0.47
ALOX15 P16050 1/20 0.47
KCNN4 O15554 3/20 0.38
HDAC3 O15379 1/20 0.37
HDAC4 P56524 1/20 0.37
HDAC1 Q13547 1/20 0.37
HDAC7 Q8WUI4 1/20 0.37
HDAC2 Q92769 1/20 0.37
HDAC10 Q969S8 1/20 0.37
HDAC11 Q96DB2 1/20 0.37
HDAC8 Q9BY41 1/20 0.37
HDAC6 Q9UBN7 1/20 0.37
HDAC9 Q9UKV0 1/20 0.37
HDAC5 Q9UQL6 1/20 0.37
KMT2A Q03164 2/20 0.35
MAPT P10636 1/20 0.35
CYP2C19 P33261 1/20 0.34
HIF1A Q16665 1/20 0.34
NR3C2 P08235 3/20 0.33

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
SCHEMBL135667 0.72 MAPK1 (0.56) MAPK1ALDH1A1ALOX15KCNN4HDAC3
SCHEMBL28889636 0.72 ALDH1A1 (0.52) MAPK1ALDH1A1ALOX15KCNN4HDAC3
SCHEMBL25291817 0.71 MAPT (0.52) MAPK1ALDH1A1ALOX15KCNN4HDAC3
SCHEMBL9694332 0.69 MAPK1 (0.64) MAPK1ALDH1A1ALOX15KCNN4HDAC3
SCHEMBL6552317 0.68 ALDH1A1 (0.58) MAPK1ALDH1A1ALOX15KCNN4HDAC3
SCHEMBL1549012 0.68 HDAC3 (0.45) MAPK1ALDH1A1ALOX15KCNN4HDAC3
SCHEMBL3114470 0.68 HDAC3 (0.45) MAPK1ALDH1A1ALOX15KCNN4HDAC3
SCHEMBL960581 0.68 MAPK1 (0.70) MAPK1ALDH1A1ALOX15KCNN4HDAC3
SCHEMBL8939342 0.68 MAPK1 (1.00) MAPK1ALDH1A1ALOX15KCNN4HDAC3
SCHEMBL15450 0.68 MAPK1 (1.00) MAPK1ALDH1A1ALOX15KCNN4HDAC3

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-5633364-A N4 -substituted 2'-deoxycytidine compounds, oligonucleotides including N4 -labeled 2'-deoxycytidines, and a process for making oligonucleotides with N-modified 2'-deoxycytidines AMOCO CORPORATION (US) 1997-05-27 US claimed