SCHEMBL8520637

SCHEMBL8520637

O=C(O)C=CCNCC(=O)O

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.42
GABRR1 P24046 2/20 0.42
GABRR2 P28476 2/20 0.42
BLM P54132 2/20 0.42
LMNA P02545 2/20 0.42
GABRR3 A8MPY1 1/20 0.42
APEX1 P27695 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
EGLN1 Q9GZT9 2/20 0.36
TP53 P04637 1/20 0.36
EGLN3 Q9H6Z9 1/20 0.36
ABCC4 O15439 1/20 0.32
MAPT P10636 1/20 0.32
ALDH1A1 P00352 2/20 0.32
CYP2D6 P10635 1/20 0.32
ALOX15 P16050 1/20 0.32
HCAR2 Q8TDS4 1/20 0.31
LDHA P00338 1/20 0.30
SRR Q9GZT4 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
SCHEMBL585109 0.85 TSHR (0.50) TSHRGABRR1GABRR2BLMLMNA
SCHEMBL585108 0.85 TSHR (0.50) TSHRGABRR1GABRR2BLMLMNA
SCHEMBL20334817 0.82 CTH (0.35) BLMLMNAAPEX1NPSR1EGLN1
SCHEMBL526332 0.78
SCHEMBL25185986 0.77 CHRNB2 (0.43)
SCHEMBL20326182 0.77 ALDH1A1 (0.34) LMNATDP1MAPTALDH1A1
SCHEMBL455193 0.76
SCHEMBL232854 0.76
SCHEMBL467341 0.76
SCHEMBL23482726 0.76

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
JP-11189786-A None JP disclosed
JP-H11189786-A DETERGENT COMPOSITION KAO CORP 1999-07-13 JP disclosed