SCHEMBL6058438

SCHEMBL6058438

CN(C)C(=O)C12CC3CC(CC(C(=O)O)(C3)C1)C2

nearest known ligand 0.54

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.54
MEN1 O00255 3/20 0.54
ALDH1A1 P00352 1/20 0.47
PKM P14618 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
GAA P10253 3/20 0.45
NPSR1 Q6W5P4 1/20 0.44
SMN1; SMN2 Q16637 2/20 0.41
LMNA P02545 1/20 0.41
RBP4 P02753 1/20 0.38
THRB P10828 1/20 0.38
MAPK1 P28482 1/20 0.38

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
SCHEMBL6058712 0.92 MEN1 (0.59) KMT2AMEN1ALDH1A1GAANPSR1
SCHEMBL12104306 0.91 KMT2A (0.50) KMT2AMEN1ALDH1A1PKML3MBTL1
SCHEMBL164232 0.84 L3MBTL1 (0.58) KMT2AMEN1ALDH1A1PKML3MBTL1
SCHEMBL13589980 0.84 L3MBTL1 (0.58) KMT2AMEN1ALDH1A1PKML3MBTL1
SCHEMBL14493665 0.84 L3MBTL1 (0.58) KMT2AMEN1ALDH1A1PKML3MBTL1
SCHEMBL14879970 0.82 ALDH1A1 (0.45) KMT2AMEN1ALDH1A1PKML3MBTL1
Hydrochloric Acid SCHEMBL4712251 0.82 L3MBTL1 (0.61) KMT2AMEN1ALDH1A1PKML3MBTL1
SCHEMBL5486305 0.82 L3MBTL1 (0.56) KMT2AMEN1ALDH1A1PKML3MBTL1
Hydrochloric Acid SCHEMBL4712253 0.82 L3MBTL1 (0.61) KMT2AMEN1ALDH1A1PKML3MBTL1
Hydrochloric Acid SCHEMBL1061966 0.82 L3MBTL1 (0.61) KMT2AMEN1ALDH1A1PKML3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0897747-B1 NITRATION OR CARBOXYLATION CATALYSTS DAICEL CHEM (JP) 2006-04-05 EP disclosed
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