SCHEMBL4435214

SCHEMBL4435214

COc1ccc(CC(C)(C=O)N(C)C)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AOC3 Q16853 2/20 0.41
ALDH1A1 P00352 3/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
TP53 P04637 1/20 0.41
CYP3A4 P08684 1/20 0.41
ALOX15 P16050 1/20 0.41
TSHR P16473 1/20 0.41
ALOX12 P18054 1/20 0.41
APLNR P35414 2/20 0.40
IDO1 P14902 2/20 0.40
CYP2A6 P11509 1/20 0.40
HTT P42858 1/20 0.40
ALOX5 P09917 1/20 0.40
MEN1 O00255 1/20 0.39
NPC1 O15118 1/20 0.39
EPHX2 P34913 1/20 0.39
RAB9A P51151 1/20 0.39
KMT2A Q03164 1/20 0.39
NR1H4 Q96RI1 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39

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
SCHEMBL5800393 0.81 TSHR (0.35) ALDH1A1SMN1; SMN2TP53TSHRIDO1
SCHEMBL11404883 0.79 ALDH1A1 (0.46) ALDH1A1SMN1; SMN2TP53CYP3A4ALOX15
SCHEMBL24733310 0.79 ALDH1A1 (0.46) ALDH1A1SMN1; SMN2TP53CYP3A4ALOX15
SCHEMBL28166397 0.77 AOC3 (0.47) AOC3ALDH1A1SMN1; SMN2TP53CYP3A4
SCHEMBL7189810 0.77 SLC6A4 (0.41) ALDH1A1CYP3A4TSHRHTTMEN1
SCHEMBL6793224 0.75 CTSK (0.45) ALDH1A1SMN1; SMN2TP53CYP3A4ALOX15
SCHEMBL11088800 0.74 ALDH1A1 (0.44) ALDH1A1SMN1; SMN2TP53CYP3A4ALOX15
SCHEMBL10655469 0.74 AOC3 (0.44) AOC3ALDH1A1SMN1; SMN2TP53CYP3A4
SCHEMBL12313869 0.72 ALDH1A1 (0.43) ALDH1A1SMN1; SMN2TP53CYP3A4ALOX15
SCHEMBL73472 0.72 IDO1 (0.54) ALDH1A1SMN1; SMN2TP53CYP3A4ALOX15

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
EP-2130881-A1 Pigment dispersion and ink composition using the same FUJIFILM Corporation (JP) 2009-12-09 EP disclosed