SCHEMBL6318442

SCHEMBL6318442

CCCCC(O)OCCC(C)C

nearest known ligand 0.35

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.35
CA1 P00915 2/20 0.33
CA2 P00918 2/20 0.33
SPHK1 Q9NYA1 2/20 0.33
ALOX5 P09917 1/20 0.33
PPARG P37231 1/20 0.33
CA12 O43570 1/20 0.33
CA9 Q16790 1/20 0.33
ALDH1A1 P00352 2/20 0.32
HSD17B10 Q99714 1/20 0.32
FDPS P14324 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
DNM1 Q05193 1/20 0.31
USP2 O75604 1/20 0.31

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
SCHEMBL5467568 0.84 TDP1 (0.39) TDP1CA1CA2ALDH1A1HSD17B10
SCHEMBL14119419 0.84 TSHR (0.37) TDP1CA1CA2ALDH1A1FDPS
SCHEMBL7194803 0.82 DNM1 (0.43) CA1CA2CA12CA9ALDH1A1
SCHEMBL28294072 0.82 SPHK1 (0.42) SPHK1DNM1USP2
SCHEMBL27695365 0.82 SPHK1 (0.42) SPHK1DNM1USP2
SCHEMBL27925080 0.82 SPHK1 (0.42) SPHK1DNM1USP2
SCHEMBL23038695 0.80 DNM1 (0.47) SPHK1DNM1USP2
SCHEMBL23038707 0.80 DNM1 (0.47) SPHK1DNM1USP2
SCHEMBL29172356 0.80 DNM1 (0.47) SPHK1DNM1USP2
SCHEMBL11792211 0.80 L3MBTL1 (0.38) TDP1CA1CA2SPHK1ALDH1A1

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
US-6884468-B1 Method of making a paper coating using a blend of a vinyl aromatic-acrylic polymer dispersion with a vinyl aromatic-diene polymer dispersion BASF AG (DE) 2005-04-26 US disclosed