SCHEMBL9854852

SCHEMBL9854852

CC(C)(C)C(=O)Cc1cnco1

nearest known ligand 0.36

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 16/20 0.35
IMPDH2 P12268 2/20 0.33
IMPDH1 P20839 2/20 0.33
ACACB O00763 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
SCHEMBL20342093 0.79
SCHEMBL27975846 0.75
SCHEMBL873517 0.74 NAMPT (0.40) NAMPTIMPDH2ACACB
SCHEMBL27873946 0.73
SCHEMBL6274565 0.70 NAMPT (0.36) NAMPT
SCHEMBL5960490 0.70 LMNA (0.32) NAMPT
SCHEMBL28212014 0.68 CYP3A4 (0.43) NAMPTIMPDH2IMPDH1ACACB
SCHEMBL4888168 0.68 ALDH1A1 (0.38) NAMPTACACB
SCHEMBL18475140 0.67 NAMPT (0.46) NAMPT
SCHEMBL2625480 0.67 CHRNA4 (0.39) IMPDH2IMPDH1ACACB

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-0409418-A1 Heterocyclic tertiary alcohols IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1991-01-23 EP disclosed