Sugi Predict

Sugi Predict / Compounds / SCHEMBL17200181

SCHEMBL17200181

SCHEMBL17200181

CC1(CC2CC2)[C@@H](OC(=O)C2CC2)CC[C@]2(C)[C@@H]3C(Oc4cc(-c5cccnc5)oc(=O)c4[C@@H]3O)C(O)C[C@@H]12

nearest known ligand 0.56

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ SOAT2 O75908 10/20 0.54
▸ SOAT1 P35610 9/20 0.54

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
SCHEMBL233526 0.93 SOAT2 (0.60) SOAT2SOAT1
SCHEMBL15455939 0.93 SOAT2 (0.60) SOAT2SOAT1
SCHEMBL895914 0.93 SOAT2 (0.60) SOAT2SOAT1
SCHEMBL231297 0.91 SOAT2 (0.52) SOAT2SOAT1
SCHEMBL19809120 0.90 SOAT2 (0.49) SOAT2SOAT1
SCHEMBL17200182 0.89 SOAT2 (0.49) SOAT2SOAT1
SCHEMBL17201760 0.88 SOAT2 (0.49) SOAT2SOAT1
SCHEMBL231296 0.88 SOAT2 (0.49) SOAT2SOAT1
SCHEMBL15063422 0.82 SOAT2 (0.47) SOAT2SOAT1
SCHEMBL14752178 0.82 SOAT2 (0.60) SOAT2SOAT1

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-2793578-B1 N-ARYLAMIDINE-SUBSTITUTED TRIFLUOROETHYLSULFIDE DERIVATIVES AS ACARICIDES AND INSECTICIDES BAYER CROPSCIENCE AG (DE) 2018-06-06 — — EP claimed
EP-2467021-B1 3-[1-(3-HALOALKYL)-TRIAZOLYL]-PHENYL-SULPHIDE DERIVATIVES AS ACARICIDES AND INSECTICIDES BAYER IP GMBH (DE) 2015-10-28 — — EP claimed