SCHEMBL6161513

SCHEMBL6161513

O=C(O)[CH]CC(C(=O)O)C(=O)O

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FNTA P49354 1/20 0.35
FNTB P49356 1/20 0.35
TSHR P16473 3/20 0.33
GABRR1 P24046 2/20 0.33
GABRR2 P28476 2/20 0.33
BLM P54132 2/20 0.33
TDP1 Q9NUW8 2/20 0.33
ALDH1A1 P00352 1/20 0.33
CYP2D6 P10635 1/20 0.33
ALOX15 P16050 1/20 0.33
GABRR3 A8MPY1 1/20 0.33
LMNA P02545 1/20 0.33
APEX1 P27695 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
TP53 P04637 1/20 0.32
EGLN1 Q9GZT9 1/20 0.32
EGLN3 Q9H6Z9 1/20 0.32
GRIK1 P39086 5/20 0.31
GRIK2 Q13002 5/20 0.31
OR51E2 Q9H255 1/20 0.30

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
SCHEMBL3910421 0.76 FNTA (0.39) FNTAFNTBTSHRTDP1ALDH1A1
SCHEMBL3910423 0.76 FNTA (0.39) FNTAFNTBTSHRTDP1ALDH1A1
SCHEMBL3510994 0.75 PTGS1 (0.46) BLMALOX15GRIK1GRIK2
SCHEMBL125682 0.73
SCHEMBL27694858 0.73
SCHEMBL1162120 0.71 FNTA (0.37) FNTAFNTBTSHRTDP1ALDH1A1
SCHEMBL25223847 0.71
SCHEMBL9749335 0.71
SCHEMBL7251635 0.69
SCHEMBL20816993 0.69 GRIK1 (0.40) FNTAFNTBTDP1ALDH1A1CYP2D6

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
EP-1224165-B1 NOVEL COMPOUNDS NEW PHARMA RES SWEDEN AB (SE) 2005-12-14 EP claimed
EP-1224165-B1 NOVEL COMPOUNDS NEW PHARMA RES SWEDEN AB (SE) 2005-12-14 EP disclosed
US-6875764-B1 Urea and thiourea compounds useful for treatment of coccidiosis NEW PHARMA RESEARCH SWEDEN AB (SE) 2005-04-05 US disclosed