SCHEMBL21049515

SCHEMBL21049515

O=C1CC2(CCC3(CCCC3)CC2)C(=O)N1

nearest known ligand 0.37

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CRBN Q96SW2 14/20 0.37
DDB1 Q16531 2/20 0.34
TSHR P16473 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
IDO1 P14902 1/20 0.33
TDO2 P48775 1/20 0.33

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
SCHEMBL278231 0.86 CRBN (0.41) CRBNDDB1TSHRNPSR1IDO1
SCHEMBL278097 0.86
SCHEMBL3825820 0.84 CRBN (0.40) CRBNDDB1TSHRNPSR1
SCHEMBL3958832 0.84 CRBN (0.40) CRBNDDB1TSHRNPSR1
SCHEMBL17077711 0.76 CRBN (0.38) CRBNDDB1TSHRNPSR1IDO1
SCHEMBL785575 0.73 CRBN (0.55) CRBNDDB1TSHRNPSR1IDO1
Hydrochloric Acid SCHEMBL5258578 0.71 CRBN (0.53) CRBNDDB1TSHRNPSR1
SCHEMBL2702162 0.71 CRBN (0.38) CRBNDDB1TSHRNPSR1IDO1
SCHEMBL529832 0.71 CRBN (0.43) CRBNTSHRNPSR1
SCHEMBL15898067 0.70 CRBN (0.39) CRBNDDB1TSHRNPSR1

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-3494109-A1 METHOD FOR PRODUCING SPIROKETAL-SUBSTITUTED CYCLIC KETOENOLS Bayer CropScience Aktiengesellschaft (DE) 2019-06-12 EP disclosed