SCHEMBL13604121

SCHEMBL13604121

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

nearest known ligand 0.55

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 1/20 0.46
ELANE P08246 1/20 0.44
CES2 O00748 1/20 0.43
CES1 P23141 1/20 0.43
TSHR P16473 1/20 0.42
ALDH1A1 P00352 3/20 0.42
HPGD P15428 2/20 0.42
RAB9A P51151 2/20 0.41
NPC1 O15118 1/20 0.41
HTT P42858 1/20 0.41
KMT2A Q03164 4/20 0.41
CYP3A4 P08684 1/20 0.41
DEPTOR Q8TB45 1/20 0.41
KDM4E B2RXH2 1/20 0.41
F2 P00734 1/20 0.40
LMNA P02545 1/20 0.40
RECQL P46063 1/20 0.40
MEN1 O00255 1/20 0.40
PKM P14618 1/20 0.40

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
SCHEMBL1805158 0.84 TSHR (0.52) HSD11B1TSHRALDH1A1HPGDRAB9A
SCHEMBL27637343 0.82 ELANE (0.49) HSD11B1ELANECES2CES1TSHR
SCHEMBL8778253 0.82 ELANE (0.46) HSD11B1ELANECES2CES1TSHR
SCHEMBL3303880 0.81 ALDH1A1 (0.53) TSHRALDH1A1HPGDRAB9ANPC1
SCHEMBL13479711 0.81 ALOX15 (0.46) CES2CES1TSHRALDH1A1HPGD
SCHEMBL10504082 0.79 ALDH1A1 (0.42) HSD11B1TSHRALDH1A1HPGDKMT2A
SCHEMBL29016423 0.79 TSHR (0.42) HSD11B1TSHRALDH1A1HPGDRAB9A
SCHEMBL28777 0.79 MLYCD (0.54) HSD11B1CES2CES1TSHRALDH1A1
SCHEMBL3303838 0.79 CES2 (0.50) CES2CES1ALDH1A1HPGDKMT2A
SCHEMBL1951213 0.78 ALDH1A1 (0.44) HSD11B1ELANECES2CES1TSHR

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-7635181-B2 Ink for ink jet-recording curable through irradiation with a radioactive ray and method for preparing lithographic printing plates using the same FUJIFILM CORPORATION (JP) 2009-12-22 US disclosed