SCHEMBL6231775

SCHEMBL6231775

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

nearest known ligand 0.33

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
GLA P06280 1/20 0.33
MAPT P10636 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
NPSR1 Q6W5P4 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
SCHEMBL6230750 0.97 GLA (0.33) GLAMAPTL3MBTL1
SCHEMBL6227897 0.90 KMT2A (0.38) MAPT
SCHEMBL6058464 0.86 NPSR1 (0.39) GLAMAPTNPSR1
SCHEMBL5084581 0.82 GLA (0.42) GLAL3MBTL1NPSR1
SCHEMBL5608209 0.80 PKM (0.33) L3MBTL1
SCHEMBL5607482 0.76 PKM (0.33) L3MBTL1
SCHEMBL5084537 0.75 ALDH1A1 (0.39) GLAL3MBTL1NPSR1
SCHEMBL5082232 0.75 ALDH1A1 (0.39) GLAL3MBTL1NPSR1
SCHEMBL17586310 0.74
SCHEMBL5607585 0.74 ALDH1A1 (0.40) GLAL3MBTL1NPSR1

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