SCHEMBL6408902

SCHEMBL6408902

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

nearest known ligand 0.37

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
LDHA P00338 1/20 0.35
SRR Q9GZT4 1/20 0.35
FFAR3 O14843 1/20 0.33
MME P08473 1/20 0.33
ACE P12821 1/20 0.33
CPA1 P15085 1/20 0.33
ACE2 Q9BYF1 1/20 0.33
TSHR P16473 1/20 0.33
TP53 P04637 1/20 0.32
TRPA1 O75762 1/20 0.31
ALDH1A1 P00352 2/20 0.31
LMNA P02545 1/20 0.30
MAPT P10636 1/20 0.30
PTGS2 P35354 1/20 0.30
TDP1 Q9NUW8 1/20 0.30
CYP2D6 P10635 1/20 0.30
CYP2C19 P33261 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
SCHEMBL3440971 1.00 LDHA (0.35) LDHASRRFFAR3MMEACE
SCHEMBL6067688 0.79 MME (0.42) LDHASRRFFAR3MMEACE
SCHEMBL6067684 0.79 MME (0.42) LDHASRRFFAR3MMEACE
SCHEMBL4377302 0.78 TSHR (0.38) FFAR3TSHRTP53ALDH1A1TDP1
SCHEMBL13587629 0.78 TSHR (0.38) FFAR3TSHRTP53ALDH1A1TDP1
SCHEMBL1486226 0.78 TSHR (0.38) FFAR3TSHRTP53ALDH1A1TDP1
SCHEMBL6409374 0.78 LDHA (0.40) LDHASRRFFAR3TSHRTP53
SCHEMBL4382401 0.78 TSHR (0.38) FFAR3TSHRTP53ALDH1A1TDP1
SCHEMBL3440791 0.78 LDHA (0.40) LDHASRRFFAR3TSHRTP53
SCHEMBL13587627 0.78 TSHR (0.38) FFAR3TSHRTP53ALDH1A1TDP1

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
EP-1602727-A2 Novel erythromycins and process for their preparation Biotica Technology Limited (GB) 2005-12-07 EP disclosed
EP-0909327-B1 ERYTHROMYCINS AND PROCESS FOR THEIR PREPARATION BIOTICA TECH LTD (GB) 2005-06-01 EP disclosed