SCHEMBL4076160

SCHEMBL4076160

C=CC(O)N(CC(=O)O)C(O)C=C

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 2/20 0.35
SLC6A4 P31645 2/20 0.35
BLM P54132 2/20 0.35
SLC6A3 Q01959 2/20 0.35
TSHR P16473 2/20 0.35
CYP2C19 P33261 2/20 0.35
MEN1 O00255 1/20 0.35
CYP2D6 P10635 1/20 0.35
NFKB1 P19838 1/20 0.35
KMT2A Q03164 1/20 0.35
TDP1 Q9NUW8 2/20 0.35
EYA2 O00167 1/20 0.35
APP P05067 1/20 0.35
ACE P12821 1/20 0.35
LMNA P02545 2/20 0.33
KDM4E B2RXH2 1/20 0.33
CHRM2 P08172 1/20 0.33
ADRA2A P08913 1/20 0.33
ALOX15 P16050 1/20 0.33
DRD1 P21728 1/20 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
SCHEMBL10615501 0.81 SLC6A2 (0.35) SLC6A2SLC6A4BLMSLC6A3TSHR
SCHEMBL9806383 0.77 TSHR (0.42) SLC6A2SLC6A4BLMSLC6A3TSHR
SCHEMBL10325255 0.71 TDP1 (0.52) SLC6A2SLC6A4BLMSLC6A3TSHR
SCHEMBL9806394 0.71 SLC6A2 (0.37) SLC6A2SLC6A4BLMSLC6A3TSHR
SCHEMBL1497604 0.71
SCHEMBL9572480 0.70 MEN1 (0.31) BLMTSHRMEN1KMT2ATDP1
SCHEMBL3212636 0.70 MEN1 (0.34) SLC6A2SLC6A4BLMSLC6A3TSHR
SCHEMBL6058829 0.69
SCHEMBL529336 0.67 ALDH1A1 (0.31)
SCHEMBL9602735 0.67 LMNA (0.33) SLC6A2SLC6A4BLMSLC6A3TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040241348-A1 Recording paper, and image recording method and device using the same FUJI XEROX CO., LTD. (JP) 2004-12-02 US claimed
US-20040207701-A1 Ink jet ink composition, ink set and ink jet treatment liquid, and ink jet recording method and ink jet recording apparatus using the same FUJI XEROX CO., LTD. (JP) 2004-10-21 US claimed
US-7597437-B2 Ink jet ink composition, ink set and ink jet treatment liquid, and ink jet recording method and ink jet recording apparatus using the same FUJI XEROX CO., LTD. (JP) 2009-10-06 US disclosed
US-20070109380-A1 Ink jet ink composition, ink set and ink jet treatment liquid, and ink jet recording method and ink jet recording apparatus using the same FUJI XEROX CO., LTD. (JP) 2007-05-17 US disclosed
US-20040241348-A1 Recording paper, and image recording method and device using the same FUJI XEROX CO., LTD. (JP) 2004-12-02 US disclosed
US-20040207701-A1 Ink jet ink composition, ink set and ink jet treatment liquid, and ink jet recording method and ink jet recording apparatus using the same FUJI XEROX CO., LTD. (JP) 2004-10-21 US disclosed