SCHEMBL2945876

SCHEMBL2945876

CC(C)C(=O)O.CC(C)C(=O)OCC(C)(C)C(OC(=O)C(C)C)C(C)C

nearest known ligand 0.34

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.31
POLB P06746 1/20 0.31
MAPT P10636 1/20 0.31
MMP1 P03956 1/20 0.30
MMP2 P08253 1/20 0.30
MMP3 P08254 1/20 0.30
MMP9 P14780 1/20 0.30
MMP13 P45452 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
SCHEMBL29796685 0.95 ALDH1A1 (0.33) ALDH1A1POLBMAPT
SCHEMBL43993 0.95 ALDH1A1 (0.33) ALDH1A1POLBMAPT
SCHEMBL30038608 0.88 ALDH1A1 (0.32) ALDH1A1POLBMAPT
SCHEMBL11315933 0.84 TSHR (0.35) ALDH1A1POLBMAPT
SCHEMBL11315932 0.84 ALDH1A1 (0.31) ALDH1A1
Bicarbonate SCHEMBL10905304 0.83
SCHEMBL10903492 0.83 ALOX15 (0.31)
SCHEMBL12213685 0.82 GRIN2D (0.31)
SCHEMBL9443359 0.82 ALDH1A1 (0.30) ALDH1A1POLBMAPT
SCHEMBL11289530 0.81 KDM6B (0.33)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7754023-B2 Compositions and methods using a microorganism concentrate for paint overspray removal processes PPG INDUSTRIES OHIO, INC. (US) 2010-07-13 US disclosed
EP-1838791-A1 COMPOSITIONS AND METHODS USING A MICROORGANISM CONCENTRATE FOR PAINT OVERSPRAY REMOVAL PROCESSES PPG Industries Ohio, Inc. (US) 2007-10-03 EP disclosed
WO-2006060718-A1 COMPOSITIONS AND METHODS USING A MICROORGANISM CONCENTRATE FOR PAINT OVERSPRAY REMOVAL PROCESSES PPG INDUSTRIES OHIO, INC. (US) 2006-06-08 WO disclosed
US-20060122086-A1 Compositions and methods using a microorganism concentrate for paint overspray removal processes PPG INDUSTRIES OHIO, INC. 2006-06-08 US disclosed
US-6242388-B1 OIL AND GAS WELLS WITH COUPLING SOLVENTS AND SURFACTANTS EASTMAN CHEMICAL COMPANY 2001-06-05 US disclosed