SCHEMBL21163992

SCHEMBL21163992

CCC(C)(C)C(=O)OC1CC2(O)CC3CC1CC(O)(C3)C2

nearest known ligand 0.34

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 5/20 0.34
HSD11B2 P80365 1/20 0.32
MDH1 P40925 1/20 0.30
MDH2 P40926 1/20 0.30
NPSR1 Q6W5P4 1/20 0.30
DPP4 P27487 1/20 0.30

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
SCHEMBL13429922 0.82 HSD11B1 (0.34) HSD11B1HSD11B2
SCHEMBL10167910 0.80
SCHEMBL5521859 0.79 HSD11B1 (0.44) HSD11B1HSD11B2
SCHEMBL13088075 0.73 HSD11B1 (0.38) HSD11B1MDH1MDH2DPP4
SCHEMBL17914405 0.73
SCHEMBL47540 0.73 HSD11B1 (0.38) HSD11B1MDH1MDH2DPP4
SCHEMBL18253462 0.72 CYP19A1 (0.36)
SCHEMBL13429909 0.72 HSD11B1 (0.33) HSD11B1
SCHEMBL18253463 0.71 CYP19A1 (0.33)
SCHEMBL26936533 0.71 HSD11B1 (0.40) HSD11B1HSD11B2

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-2681623-B1 PATTERN FORMING METHOD, ACTINIC RAY-SENSITIVE OR RADIATION-SENSITIVE RESIN COMPOSITION AND RESIST FILM FUJIFILM CORP (JP) 2019-07-10 EP disclosed