SCHEMBL9425842

SCHEMBL9425842

CCCCCC(Cl)(CSC(C)(C)C)C(=O)O

nearest known ligand 0.38

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
FDPS P14324 11/20 0.38
SMPD1 P17405 2/20 0.37
GGPS1 O95749 7/20 0.35
CES2 O00748 1/20 0.33

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
SCHEMBL8422908 0.79 SMPD1 (0.45) FDPSSMPD1CES2
SCHEMBL29200163 0.76 SMPD1 (0.42) FDPSSMPD1CES2
SCHEMBL4154139 0.76 SMPD1 (0.42) FDPSSMPD1CES2
SCHEMBL8683402 0.74 FDPS (0.38) FDPSSMPD1CES2
SCHEMBL6052974 0.73 FDPS (0.48) FDPSSMPD1GGPS1
SCHEMBL28220444 0.71 FDPS (0.42) FDPSSMPD1CES2
SCHEMBL9243044 0.71 FDPS (0.39) FDPS
SCHEMBL8772566 0.71 FDPS (0.50) FDPSSMPD1GGPS1CES2
SCHEMBL33108 0.71 FDPS (0.46) FDPSGGPS1CES2
SCHEMBL10379611 0.70 SMPD1 (0.44) FDPSSMPD1CES2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0594621-A1 PROCESS FOR ENZYMATICALLY PREPARING ENANTIOMER-FREE ESTERS AND ALCOHOLS Roche Diagnostics GmbH (DE) 1994-05-04 EP disclosed
WO-1993002034-A1 PROCESS FOR ENZYMATICALLY PREPARING ENANTIOMER-FREE ESTERS AND ALCOHOLS BOEHRINGER MANNHEIM GMBH (DE) 1993-02-04 WO disclosed