SCHEMBL6560774

SCHEMBL6560774

CC(=O)O[C@@H](CC(=O)OC(=O)C[C@H](OC(C)=O)C(=O)O)C(=O)O

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 1/20 0.38
TSHR P16473 3/20 0.37
SMN1; SMN2 Q16637 2/20 0.36
LMNA P02545 1/20 0.36
TDP1 Q9NUW8 1/20 0.35
MMP1 P03956 1/20 0.35
MMP2 P08253 1/20 0.35
MMP3 P08254 1/20 0.35
MMP9 P14780 1/20 0.35
MMP13 P45452 1/20 0.35
CHRM2 P08172 1/20 0.33
CHRM4 P08173 1/20 0.33
CHRM1 P11229 1/20 0.33
TBXA2R P21731 1/20 0.33
MEN1 O00255 1/20 0.32
CYP1A2 P05177 1/20 0.32
HRH1 P35367 1/20 0.32
KMT2A Q03164 1/20 0.32
GALR3 O60755 1/20 0.32
MAPT P10636 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
SCHEMBL13345401 0.85 MGAM (0.39) ALOX15TSHRSMN1; SMN2LMNATDP1
SCHEMBL19107058 0.83 ALOX15 (0.36) ALOX15TSHRSMN1; SMN2LMNATDP1
SCHEMBL581924 0.82 ALOX15 (0.50) ALOX15TSHRSMN1; SMN2LMNATDP1
SCHEMBL5310540 0.82 ALOX15 (0.50) ALOX15TSHRSMN1; SMN2LMNATDP1
SCHEMBL18219006 0.82 ALOX15 (0.41) ALOX15TSHRSMN1; SMN2LMNATDP1
SCHEMBL18908300 0.82 ALOX15 (0.41) ALOX15TSHRSMN1; SMN2LMNATDP1
SCHEMBL18219051 0.82 ALOX15 (0.41) ALOX15TSHRSMN1; SMN2LMNATDP1
SCHEMBL29000852 0.82 ALOX15 (0.50) ALOX15TSHRSMN1; SMN2LMNATDP1
SCHEMBL18206327 0.80 CYP2D6 (0.38) ALOX15TSHRSMN1; SMN2LMNATDP1
SCHEMBL13377668 0.80 MMP1 (0.39) ALOX15TSHRSMN1; SMN2LMNATDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1398312-A1 Beta-substituted-gamma-butyrolactones and a process for preparation thereof Uh, Hong-Sun (KR) 2004-03-17 EP disclosed