SCHEMBL28746563

SCHEMBL28746563

CCC(=O)OC(C)=O.CCCC(=O)OC(=O)CC(C)C

nearest known ligand 0.54

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.54
TDP1 Q9NUW8 1/20 0.35
MMP1 P03956 1/20 0.34
MMP2 P08253 1/20 0.34
MMP3 P08254 1/20 0.34
MMP9 P14780 1/20 0.34
MMP13 P45452 1/20 0.34
TSHR P16473 1/20 0.31
LMNA P02545 2/20 0.31
ALOX15 P16050 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
SCHEMBL28838568 0.93 ALDH1A1 (0.62) ALDH1A1TDP1MMP1MMP2MMP3
SCHEMBL386476 0.89 ALDH1A1 (0.68) ALDH1A1TDP1MMP1MMP2MMP3
SCHEMBL27555940 0.88 ALDH1A1 (0.48) ALDH1A1LMNA
3-Methylbutanoic Acid SCHEMBL27726182 0.84 ALDH1A1 (0.50) ALDH1A1TDP1MMP1MMP2MMP3
SCHEMBL8339335 0.82 ALDH1A1 (0.50) ALDH1A1TDP1MMP1MMP2MMP3
SCHEMBL181910 0.82 MMP1 (0.45) ALDH1A1TDP1MMP1MMP2MMP3
SCHEMBL24421 0.80
SCHEMBL27473501 0.80 ALDH1A1 (0.50) ALDH1A1TSHRLMNAALOX15
SCHEMBL19520561 0.79 ALDH1A1 (0.60) ALDH1A1TSHRLMNA
SCHEMBL27600383 0.79 ALDH1A1 (0.60) ALDH1A1TSHRLMNA

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
CN-1285827-C Microbe oil-displacement method and microbe trielement compound oil-displacement agent DAQING OIL FIELD CO LTD (CN) 2006-11-22 CN disclosed
CN-1580486-A Microbe oil-displacement method and microbe trielement compound oil-displacement agent DAQING OIL FIELD CO LTD (CN) 2005-02-16 CN disclosed
CN-1580241-A Bacterium for degrading petroleum and it use DAQING OIL FIELD CO LTD (CN) 2005-02-16 CN disclosed
CN-1580240-A Bacterium for degrding petroleum and its use DAQING OIL FIELD CO LTD (CN) 2005-02-16 CN disclosed