SCHEMBL5608385

SCHEMBL5608385

O=C(O)C12CC3CC(O)(C1)CC([N+](=O)[O-])(C3)C2

nearest known ligand 0.32

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 1/20 0.32

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
SCHEMBL5607482 0.89 PKM (0.33)
SCHEMBL5608209 0.89 PKM (0.33)
SCHEMBL7734549 0.86 HSD11B1 (0.31) HSD11B1
SCHEMBL5608186 0.83 NPC1 (0.35)
SCHEMBL5607875 0.83 CRHBP (0.38)
SCHEMBL1732678 0.79 HSD11B1 (0.41) HSD11B1
SCHEMBL964124 0.79 HSD11B1 (0.41) HSD11B1
SCHEMBL5608271 0.77 PKM (0.45) HSD11B1
SCHEMBL5608342 0.74 CRHBP (0.36)
SCHEMBL5608407 0.72

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-RE39744-E1 Adamantane derivatives and process for producing them DAICEL CHEMICAL INDUSTRIES, LTD. (JP) 2007-07-24 US disclosed
US-6392104-B1 CHEMICAL INTERMEDIATES FOR DRUGS, AGRICULTURE DAICEL CHEMICAL INDUSTRIES, LTD. (JP) 2002-05-21 US disclosed
EP-0927711-A1 ADAMANTANE DERIVATIVES AND PROCESS FOR PRODUCING THEM Daicel Chemical Industries, Ltd. (JP) 1999-07-07 EP disclosed