SCHEMBL21361210

SCHEMBL21361210

COC1=C(c2c(C)cc(BOC(C)(C)C(C)(C)O)cc2C)C(=O)CC2(CCN(C(=O)OC(C)(C)C)CC2)C1

nearest known ligand 0.35

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ACACB O00763 5/20 0.35
GPR183 P32249 1/20 0.33
SPR P35270 6/20 0.33
GPR119 Q8TDV5 1/20 0.33
HDAC1 Q13547 1/20 0.31
HDAC2 Q92769 1/20 0.31
SCD5 Q86SK9 1/20 0.31
NAMPT P43490 3/20 0.31
PIK3CA P42336 1/20 0.31
MTOR P42345 1/20 0.31
PRKDC P78527 1/20 0.31

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
SCHEMBL21357431 0.85 GPR119 (0.40) ACACBGPR183SPRGPR119HDAC1
SCHEMBL21361211 0.83 ACACB (0.39) ACACBGPR183SPRGPR119HDAC1
SCHEMBL22345592 0.80 GPR183 (0.41) ACACBGPR183SPRGPR119HDAC1
SCHEMBL21357462 0.80 USP30 (0.37) ACACBGPR183GPR119HDAC1HDAC2
SCHEMBL21357443 0.77 ACACB (0.40) ACACBSPRGPR119HDAC1HDAC2
SCHEMBL22908417 0.76 DPP4 (0.35) ACACBGPR183GPR119NAMPT
SCHEMBL21344870 0.73 GPR183 (0.39) ACACBGPR183GPR119HDAC1HDAC2
SCHEMBL22907827 0.70 GPR183 (0.33) ACACBGPR183
SCHEMBL18619797 0.69 LMNA (0.43) GPR119
SCHEMBL904136 0.68 USP2 (0.49) ACACBGPR183GPR119SCD5

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-3765445-B1 SPIRO CYCLOHEXANEDIONE DERIVATES AS HERBICIDES SYNGENTA PARTICIPATIONS AG (CH) 2023-08-30 EP disclosed
WO-2019175117-A1 SPIRO CYCLOHEXANEDIONE DERIVATES AS HERBICIDES SYNGENTA PARTICIPATIONS AG (CH) 2019-09-19 WO disclosed