SCHEMBL6409374

SCHEMBL6409374

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

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LDHA P00338 1/20 0.40
SRR Q9GZT4 1/20 0.40
TP53 P04637 1/20 0.36
ALDH1A1 P00352 2/20 0.33
TDP1 Q9NUW8 2/20 0.33
SLC22A6 Q4U2R8 1/20 0.33
LMNA P02545 1/20 0.33
MAPT P10636 1/20 0.33
PTGS2 P35354 1/20 0.33
CYP2D6 P10635 1/20 0.33
CYP2C19 P33261 1/20 0.33
GABRP O00591 2/20 0.32
GABRD O14764 2/20 0.32
GABRA1 P14867 2/20 0.32
GABRB1 P18505 2/20 0.32
GABRG2 P18507 2/20 0.32
GABRB3 P28472 2/20 0.32
GABRA5 P31644 2/20 0.32
GABRA3 P34903 2/20 0.32
GABRA2 P47869 2/20 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
SCHEMBL3440791 1.00 LDHA (0.40) LDHASRRTP53ALDH1A1TDP1
SCHEMBL16108377 0.81 LDHA (0.42) LDHASRRTP53ALDH1A1TDP1
SCHEMBL23461635 0.80 LDHA (0.36) LDHASRRTP53ALDH1A1TDP1
SCHEMBL23461633 0.80 LDHA (0.36) LDHASRRTP53ALDH1A1TDP1
SCHEMBL3440971 0.78 LDHA (0.35) LDHASRRTP53ALDH1A1TDP1
SCHEMBL6408902 0.78 LDHA (0.35) LDHASRRTP53ALDH1A1TDP1
SCHEMBL6058674 0.78
SCHEMBL165376 0.78
SCHEMBL6067688 0.75 MME (0.42) LDHASRRALDH1A1TDP1LMNA
SCHEMBL6067684 0.75 MME (0.42) LDHASRRALDH1A1TDP1LMNA

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 4 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
EP-0909327-A2 ERYTHROMYCINS AND PROCESS FOR THEIR PREPARATION Biotica Technology Limited (GB) 1999-04-21 EP disclosed
WO-1998001571-A2 ERYTHROMYCINS AND PROCESS FOR THEIR PREPARATION BIOTICA TECHNOLOGY LIMITED (GB) 1998-01-15 WO disclosed