SCHEMBL4893568

SCHEMBL4893568

C=C(C=C(CCC(=O)O)C(=O)O)C(=O)O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.41
EGLN1 Q9GZT9 3/20 0.41
ALKBH5 Q6P6C2 1/20 0.41
SUCNR1 Q9BXA5 1/20 0.41
MAPK1 P28482 1/20 0.39
SLC13A3 Q8WWT9 1/20 0.39
OR51E2 Q9H255 1/20 0.39
TSHR P16473 3/20 0.38
KDM4E B2RXH2 3/20 0.38
NFKB1 P19838 2/20 0.34
SLC6A2 P23975 1/20 0.34
SLC6A4 P31645 1/20 0.34
BLM P54132 1/20 0.34
SLC6A3 Q01959 1/20 0.34
MEN1 O00255 1/20 0.34
CYP2D6 P10635 1/20 0.34
CYP2C19 P33261 1/20 0.34
KMT2A Q03164 1/20 0.34
SLC15A2 Q16348 1/20 0.33
SLC22A6 Q4U2R8 1/20 0.32

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
SCHEMBL15871668 0.84 LMNA (0.43) LMNAEGLN1ALKBH5SUCNR1MAPK1
SCHEMBL2747280 0.80 HDAC3 (0.39) TSHRKDM4E
SCHEMBL4042909 0.78 ABCC4 (0.38) TSHRKDM4EABCC4MAPT
SCHEMBL1561800 0.78 CAMK2A (0.41) TSHRKDM4E
SCHEMBL860029 0.78 TSHR (0.61) LMNAEGLN1ALKBH5SUCNR1MAPK1
SCHEMBL860028 0.78 TSHR (0.61) LMNAEGLN1ALKBH5SUCNR1MAPK1
SCHEMBL19407225 0.78 TSHR (0.61) LMNAEGLN1ALKBH5SUCNR1MAPK1
SCHEMBL8997946 0.77 APEX1 (0.40) OR51E2TSHRMEN1KMT2ASLC22A6
SCHEMBL18169351 0.74 FFAR3 (0.35) TSHRKDM4E
SCHEMBL5595771 0.74 FFAR3 (0.35) TSHRKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080166651-A1 TONER HAVING CROSSLINKED RESIN FOR CONTROLLING MATTE PERFORMANCE XEROX CORPORATION (US) 2008-07-10 US claimed
EP-1918784-A1 Toner having crosslinked resin for controlling matte performance Xerox Corporation (US) 2008-05-07 EP disclosed