SCHEMBL6229698

SCHEMBL6229698

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

nearest known ligand 0.46

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.42
EPHX2 P34913 9/20 0.39
ALDH1A1 P00352 3/20 0.38
TSHR P16473 1/20 0.37
DPP8 Q6V1X1 1/20 0.36
DPP9 Q86TI2 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36

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
SCHEMBL6226754 0.86 TSHR (0.40) EPHX2ALDH1A1TSHRL3MBTL1
SCHEMBL6058383 0.80 TSHR (0.42) EPHX2ALDH1A1TSHR
SCHEMBL6230362 0.79 LMNA (0.47) LMNAEPHX2ALDH1A1TSHRDPP8
SCHEMBL13320026 0.78 LMNA (0.58) LMNAEPHX2ALDH1A1L3MBTL1
SCHEMBL6229909 0.77 NPSR1 (0.46) LMNAALDH1A1L3MBTL1
SCHEMBL6228106 0.77 LMNA (0.51) LMNAEPHX2ALDH1A1L3MBTL1
SCHEMBL6154839 0.76 TSHR (0.36) EPHX2ALDH1A1TSHRL3MBTL1
SCHEMBL6227130 0.73 EPHX2 (0.32) EPHX2L3MBTL1
Acrylic Acid SCHEMBL31456574 0.70 LMNA (0.49) LMNAEPHX2ALDH1A1L3MBTL1
SCHEMBL6231540 0.69 NPSR1 (0.50) LMNAALDH1A1TSHRL3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1574495-A1 Adamantane derivatives Daicel Chemical Industries, Ltd. (JP) 2005-09-14 EP disclosed
EP-1574494-A1 Adamantane derivative Daicel Chemical Industries, Ltd. (JP) 2005-09-14 EP disclosed
US-6468487-B1 SUCH AS N-HYDROXYPHTHALIMIDE; DIRECTLY AND EFFICIENTLY REACTING ADAMANTANE WITH NITROGEN OXIDE OR WITH CARBON MONOXIDE AND OXYGEN DAICEL CHEMICAL INDUSTRIES, LTD. (JP) 2002-10-22 US disclosed
EP-0897747-A1 NITRATION OR CARBOXYLATION CATALYSTS Daicel Chemical Industries, Ltd. (JP) 1999-02-24 EP disclosed