SCHEMBL2017196

SCHEMBL2017196

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

nearest known ligand 0.32

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.32
CYP2C19 P33261 1/20 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
SCHEMBL8605751 0.78 MAPK1 (0.36) ALDH1A1CYP2C19
SCHEMBL7249213 0.78 ALDH1A1 (0.35) ALDH1A1
SCHEMBL10024523 0.75 ALDH1A1 (0.37) ALDH1A1CYP2C19
SCHEMBL15418558 0.75 MAPK1 (0.32)
SCHEMBL8624684 0.74 TSHR (0.32) ALDH1A1CYP2C19
SCHEMBL22683538 0.74
SCHEMBL15190350 0.74 TSHR (0.43) ALDH1A1CYP2C19
SCHEMBL18759626 0.72 TSHR (0.36) ALDH1A1CYP2C19
SCHEMBL28645882 0.72 TSHR (0.31)
SCHEMBL16385629 0.70

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
EP-2336340-A1 Method for producing an alkene comprising the step of converting an alcohol by an enzymatic dehydration step Marliere, Philippe (FR) 2011-06-22 EP disclosed