SCHEMBL22908417

SCHEMBL22908417

CCc1cc(BOC(C)(C)C(C)(C)O)cc(C)c1C1C(=O)CC2(CCN(C(=O)OC(C)(C)C)CC2)CC1=O

nearest known ligand 0.35

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 1/20 0.35
ACACB O00763 5/20 0.34
RORC P51449 1/20 0.34
GPR119 Q8TDV5 7/20 0.33
NAMPT P43490 1/20 0.33
GPR183 P32249 1/20 0.33
NOTCH1 P46531 4/20 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
SCHEMBL22908416 0.84 DPP4 (0.40) DPP4ACACBGPR119NAMPTGPR183
SCHEMBL22908413 0.82 ACACB (0.38) DPP4ACACBRORCGPR119NAMPT
SCHEMBL29392238 0.79 USP30 (0.38) DPP4ACACBRORCGPR119NAMPT
SCHEMBL21285092 0.78 GPR119 (0.42) ACACBGPR119NAMPTGPR183NOTCH1
SCHEMBL21344641 0.77 ACACB (0.42) ACACBGPR119NAMPT
SCHEMBL21361210 0.76 ACACB (0.35) ACACBGPR119NAMPTGPR183
SCHEMBL21273942 0.72 GPR183 (0.41) ACACBGPR119NAMPTGPR183
SCHEMBL29389236 0.72 PIK3CA (0.41) GPR119GPR183NOTCH1
Hexane SCHEMBL22345615 0.72 GPR119 (0.38) ACACBGPR119NAMPTGPR183
SCHEMBL21361282 0.71 HDAC2 (0.53) ACACBGPR119

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-2021009048-A1 HERBICIDAL CYCLOHEXANEDIONE DERIVATIVES SYNGENTA CROP PROTECTION AG (CH) 2021-01-21 WO disclosed