SCHEMBL28096231

SCHEMBL28096231

CC(C)(C)C(=O)ON1CC(c2ccc(C#N)cc2)C1

nearest known ligand 0.43

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
USP30 Q70CQ3 4/20 0.43
AR P10275 2/20 0.41
FASN P49327 9/20 0.40
ALDH1A1 P00352 1/20 0.39
HSD11B1 P28845 1/20 0.38
AOC3 Q16853 1/20 0.38
GPR119 Q8TDV5 1/20 0.38

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
SCHEMBL27936500 0.88 FASN (0.43) USP30ARFASNHSD11B1GPR119
Hydrochloric Acid SCHEMBL28007552 0.86 FASN (0.42) USP30ARFASNHSD11B1GPR119
SCHEMBL28024239 0.81 BRD4 (0.42) ALDH1A1
SCHEMBL27979570 0.81 SLC18A3 (0.33) ALDH1A1
SCHEMBL28103918 0.80 USP30 (0.41) USP30ALDH1A1
SCHEMBL28822639 0.80 ALDH1A1 (0.36) ALDH1A1
SCHEMBL28834474 0.80 ACACB (0.46) ALDH1A1
SCHEMBL15601524 0.78 GPR119 (0.54) USP30ARFASNGPR119
SCHEMBL27679915 0.77 ALDH1A1 (0.37) ARALDH1A1GPR119
SCHEMBL27699801 0.77 MAPT (0.42) ALDH1A1

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
CN-106061963-B Heterocyclic modulators of lipid synthesis and combinations thereof 3-V生物科学股份有限公司 2019-10-22 CN disclosed
CN-106061963-A Heterocyclic modulators of lipid synthesis and combinations thereof 3-V生物科学股份有限公司 2016-10-26 CN disclosed