SCHEMBL22908413

SCHEMBL22908413

Bc1cc(C)c(C2C(=O)CC3(CCN(C(=O)OC(C)(C)C)CC3)CC2=O)c(CC)c1

nearest known ligand 0.38

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ACACB O00763 5/20 0.38
DPP4 P27487 1/20 0.38
GPR119 Q8TDV5 8/20 0.37
NAMPT P43490 2/20 0.36
GPR183 P32249 1/20 0.36
KDM4E B2RXH2 1/20 0.35
MAPT P10636 1/20 0.35
THRB P10828 1/20 0.35
RORC P51449 1/20 0.35
HDAC1 Q13547 1/20 0.35
HDAC2 Q92769 1/20 0.35

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 0.88 DPP4 (0.40) ACACBDPP4GPR119NAMPTGPR183
SCHEMBL21344641 0.83 ACACB (0.42) ACACBGPR119NAMPTKDM4EMAPT
SCHEMBL29392238 0.83 USP30 (0.38) ACACBDPP4GPR119NAMPTGPR183
SCHEMBL22908417 0.82 DPP4 (0.35) ACACBDPP4GPR119NAMPTGPR183
SCHEMBL21285092 0.81 GPR119 (0.42) ACACBGPR119NAMPTGPR183KDM4E
SCHEMBL21273942 0.78 GPR183 (0.41) ACACBGPR119NAMPTGPR183KDM4E
SCHEMBL22908399 0.78 PIK3CA (0.41) GPR119GPR183
SCHEMBL29389236 0.78 PIK3CA (0.41) GPR119GPR183
Hexane SCHEMBL22345615 0.77 GPR119 (0.38) ACACBGPR119NAMPTGPR183
SCHEMBL21361282 0.77 HDAC2 (0.53) ACACBGPR119HDAC1HDAC2

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