SCHEMBL17350122

SCHEMBL17350122

O=C(O)N[C@@H]1[C@@H]2C[C@H]3C[C@@H]1C(NC1C4CC5CC(C4)CC1(O)C5)[C@](O)(C3)C2

nearest known ligand 0.33

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 1/20 0.31
HSD11B1 P28845 4/20 0.31
HSD11B2 P80365 2/20 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
SCHEMBL28047796 0.78 HSD11B1 (0.37) EPHX2HSD11B1
SCHEMBL14697418 0.69 HSD11B1 (0.54) EPHX2HSD11B1HSD11B2
SCHEMBL17350199 0.69 HSD11B1 (0.54) EPHX2HSD11B1HSD11B2
SCHEMBL17350282 0.69 HSD11B1 (0.54) EPHX2HSD11B1HSD11B2
SCHEMBL14697322 0.69 HSD11B1 (0.54) EPHX2HSD11B1HSD11B2
SCHEMBL3041989 0.69 HSD11B1 (0.54) EPHX2HSD11B1HSD11B2
SCHEMBL14697321 0.69 HSD11B1 (0.54) EPHX2HSD11B1HSD11B2
SCHEMBL1539100 0.65 ALDH1A1 (0.44) EPHX2HSD11B1
SCHEMBL8221572 0.64 THRB (0.40) EPHX2
SCHEMBL9948724 0.64 THRB (0.48) EPHX2HSD11B1HSD11B2

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