SCHEMBL7753331

SCHEMBL7753331

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

nearest known ligand 0.39

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.39
MAPK1 P28482 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
TSHR P16473 2/20 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
SCHEMBL9421367 1.00
SCHEMBL13847596 1.00
SCHEMBL263198 1.00
SCHEMBL9332589 0.97
Cyclopentane SCHEMBL27470195 0.92 ALDH1A1 (0.33) ALDH1A1MAPK1TDP1
SCHEMBL1784711 0.86 ALDH1A1 (0.33) ALDH1A1MAPK1TDP1
SCHEMBL14401318 0.86 ALDH1A1 (0.33) ALDH1A1MAPK1TDP1
SCHEMBL1784618 0.86 ALDH1A1 (0.33) ALDH1A1MAPK1TDP1TSHR
SCHEMBL19741477 0.83 ALDH1A1 (0.38) ALDH1A1MAPK1TDP1TSHR
SCHEMBL159060 0.83

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
WO-2001044145-A1 METHOD FOR THE MANUFACTURE OF OLEFINS FORTUM OIL AND GAS OY (FI) 2001-06-21 WO disclosed