SCHEMBL6059014

SCHEMBL6059014

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

nearest known ligand 0.51

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.51
MEN1 O00255 2/20 0.50
KMT2A Q03164 2/20 0.50
ALDH1A1 P00352 4/20 0.44
PKM P14618 1/20 0.43
NPSR1 Q6W5P4 1/20 0.41
THRB P10828 2/20 0.39
LMNA P02545 1/20 0.38
TSHR P16473 1/20 0.37
HSD17B10 Q99714 1/20 0.37
ALOX15 P16050 1/20 0.36
POLB P06746 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
SCHEMBL6058712 0.84 MEN1 (0.59) GAAMEN1KMT2AALDH1A1NPSR1
SCHEMBL7458451 0.81 ALDH1A1 (0.51) GAAALDH1A1PKMNPSR1THRB
SCHEMBL26611013 0.79 ALDH1A1 (0.61) GAAMEN1KMT2AALDH1A1PKM
SCHEMBL26611017 0.79 ALDH1A1 (0.61) GAAMEN1KMT2AALDH1A1PKM
SCHEMBL6058401 0.79 ALDH1A1 (0.61) GAAMEN1KMT2AALDH1A1PKM
SCHEMBL6058438 0.77 KMT2A (0.54) GAAMEN1KMT2AALDH1A1PKM
SCHEMBL5608803 0.77 MEN1 (0.54) GAAMEN1KMT2AALDH1A1PKM
SCHEMBL6058586 0.77 MEN1 (0.54) GAAMEN1KMT2APKMNPSR1
SCHEMBL1846645 0.77 ALDH1A1 (0.48) GAAALDH1A1PKMNPSR1TSHR
SCHEMBL30091366 0.77 ALDH1A1 (0.48) GAAALDH1A1PKMNPSR1TSHR

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