SCHEMBL17350199

SCHEMBL17350199

O=C(O)N[C@H]1[C@@H]2C[C@@H]3C[C@H]1C[C@@](O)(C3)C2

nearest known ligand 0.54

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 18/20 0.54
HSD11B2 P80365 2/20 0.54
EPHX2 P34913 1/20 0.50

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
SCHEMBL14697321 1.00 HSD11B1 (0.54) HSD11B1HSD11B2EPHX2
SCHEMBL14697418 1.00 HSD11B1 (0.54) HSD11B1HSD11B2EPHX2
SCHEMBL17350282 1.00 HSD11B1 (0.54) HSD11B1HSD11B2EPHX2
SCHEMBL14697322 1.00 HSD11B1 (0.54) HSD11B1HSD11B2EPHX2
SCHEMBL3041989 1.00 HSD11B1 (0.54) HSD11B1HSD11B2EPHX2
SCHEMBL12334440 0.83 HSD11B1 (0.56) HSD11B1HSD11B2EPHX2
SCHEMBL257525 0.83 HSD11B1 (0.56) HSD11B1HSD11B2EPHX2
SCHEMBL231725 0.82 HSD11B1 (0.56) HSD11B1HSD11B2EPHX2
SCHEMBL9948724 0.79 THRB (0.48) HSD11B1HSD11B2EPHX2
SCHEMBL233183 0.79 HSD11B1 (0.58) HSD11B1HSD11B2EPHX2

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9556187-B2 Substituted pyrrolo[3′,2′:5,6]pyrido[4,3-d]pyrimidines and JAK inhibitors comprising the same NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2017-01-31 US disclosed
EP-3112370-A1 TRICYCLIC HETEROCYCLIC COMPOUNDS AND JAK INHIBITORS Nissan Chemical Industries, Ltd. (JP) 2017-01-04 EP disclosed
US-9216999-B2 Substituted pyrrolo[2,3-h][1,6]naphthyridines and compositions thereof as JAK inhibitors NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2015-12-22 US disclosed