SCHEMBL1469760

SCHEMBL1469760

C=C(CCc1ccc(N(C)C)cc1)C(=O)O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.46
RAB9A P51151 3/20 0.46
MAPT P10636 3/20 0.46
MAPK1 P28482 2/20 0.46
ALOX15 P16050 2/20 0.46
NPC1 O15118 2/20 0.46
NFKB1 P19838 1/20 0.46
NFKB2 Q00653 1/20 0.46
RELA Q04206 1/20 0.46
MCL1 Q07820 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
CYP3A4 P08684 1/20 0.44
TSHR P16473 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
HDAC1 Q13547 3/20 0.41
KMT2A Q03164 3/20 0.41
MEN1 O00255 2/20 0.41
HDAC6 Q9UBN7 2/20 0.41
GAA P10253 1/20 0.41
HPGD P15428 3/20 0.41

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
SCHEMBL9333859 0.82 ALDH1A1 (0.47) ALDH1A1RAB9AMAPTMAPK1ALOX15
SCHEMBL472281 0.82 FFAR1 (0.59) ALDH1A1RAB9AMAPTMAPK1ALOX15
SCHEMBL11287913 0.81 ALDH1A1 (0.53) ALDH1A1RAB9AMAPTMAPK1ALOX15
SCHEMBL1921168 0.80 L3MBTL1 (0.51) ALDH1A1MCL1GAAHPGDKDM4E
SCHEMBL15301307 0.80 ALDH1A1 (0.48) ALDH1A1TDP1HPGDFFAR1
SCHEMBL1921016 0.80 FFAR1 (0.54) ALDH1A1TDP1KMT2AMEN1GAA
SCHEMBL28008810 0.80 ALDH1A1 (0.52) ALDH1A1RAB9AMAPTMAPK1ALOX15
SCHEMBL23259488 0.78 ALDH1A1 (0.50) ALDH1A1RAB9AMAPTMAPK1ALOX15
SCHEMBL7634724 0.78 FFAR1 (0.44) ALDH1A1TSHRTDP1HDAC1HDAC6
SCHEMBL1137129 0.78 ESR1 (0.50) ALDH1A1MAPTMAPK1NFKB1NFKB2

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8342669-B2 Reactive ink components and methods for forming images using reactive inks XEROX CORPORATION (US) 2013-01-01 US claimed
US-20110070372-A1 Reactive Ink Components And Methods For Forming Images Using Reactive Inks XEROX CORPORATION (US) 2011-03-24 US claimed
CN-114174238-A Particulate materials and related coatings, especially architectural element coatings, with low odor and low emissions, e.g. floor coatings based on free radical polymerization 赛德克公众有限公司 2022-03-11 CN disclosed