SCHEMBL5608918

SCHEMBL5608918

COC(=O)C12CC3CC(C1)CC(C(=O)N(C)C)(C3)C2

nearest known ligand 0.51

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 2/20 0.51
MEN1 O00255 4/20 0.50
KMT2A Q03164 4/20 0.50
GAA P10253 2/20 0.42
GLA P06280 1/20 0.40
THRB P10828 1/20 0.38
LMNA P02545 3/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
ALDH1A1 P00352 2/20 0.37

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
SCHEMBL12104101 0.92 MEN1 (0.47) NPSR1MEN1KMT2AGAAGLA
SCHEMBL163027 0.88 NPSR1 (0.53) NPSR1MEN1KMT2AGLATHRB
SCHEMBL6058712 0.88 MEN1 (0.59) NPSR1MEN1KMT2AGAATHRB
SCHEMBL6058438 0.81 KMT2A (0.54) NPSR1MEN1KMT2AGAATHRB
SCHEMBL5859987 0.81 NPSR1 (0.47) NPSR1MEN1KMT2AGAAGLA
SCHEMBL5859999 0.81 NPSR1 (0.47) NPSR1MEN1KMT2AGLATHRB
SCHEMBL163910 0.81 ALDH1A1 (0.51) NPSR1MEN1KMT2AGAAGLA
SCHEMBL12104160 0.80 NPSR1 (0.43) NPSR1MEN1KMT2AGAAGLA
SCHEMBL19639616 0.80 SMN1; SMN2 (0.33) NPSR1MEN1KMT2ALMNASMN1; SMN2
Hydrochloric Acid SCHEMBL5859992 0.79 ALDH1A1 (0.50) NPSR1MEN1KMT2AGAAGLA

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 8 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
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
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
EP-0897747-A1 NITRATION OR CARBOXYLATION CATALYSTS Daicel Chemical Industries, Ltd. (JP) 1999-02-24 EP disclosed