SCHEMBL5607947

SCHEMBL5607947

CC(=O)NC12CC3CC(O)(C1)CC([N+](=O)[O-])(C3)C2

nearest known ligand 0.49

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 1/20 0.36
EPHX2 P34913 1/20 0.31

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
SCHEMBL6229492 0.91 EPHX1 (0.36) EPHX1EPHX2
SCHEMBL6232956 0.91 EPHX1 (0.36) EPHX1EPHX2
SCHEMBL5608356 0.83 EPHX1 (0.44) EPHX1EPHX2
SCHEMBL7636763 0.83 EPHX1 (0.44) EPHX1EPHX2
SCHEMBL6058383 0.81 TSHR (0.42) EPHX1EPHX2
SCHEMBL5608186 0.79 NPC1 (0.35)
SCHEMBL5607875 0.79 CRHBP (0.38)
SCHEMBL7734549 0.77 HSD11B1 (0.31)
SCHEMBL6227130 0.77 EPHX2 (0.32) EPHX1EPHX2
SCHEMBL5608363 0.76 EPHX2 (0.50) EPHX2

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