SCHEMBL6252048

SCHEMBL6252048

COC(=O)NC12CC3CC(CC(NC(C)=O)(C3)C1)C2

nearest known ligand 0.53

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.45
EPHX1 P07099 2/20 0.45
RXFP1 Q9HBX9 1/20 0.44
EPHX2 P34913 2/20 0.41
GLA P06280 1/20 0.41
NPC1 O15118 2/20 0.40
RAB9A P51151 2/20 0.40
USP2 O75604 1/20 0.40
ALDH1A1 P00352 1/20 0.40
KMT2A Q03164 3/20 0.40
MEN1 O00255 2/20 0.40
GAA P10253 1/20 0.39
MAPK1 P28482 1/20 0.39
DPP8 Q6V1X1 1/20 0.39
DPP9 Q86TI2 1/20 0.39
SMN1; SMN2 Q16637 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
SCHEMBL6058547 0.89 EPHX1 (0.53) TSHREPHX1RXFP1EPHX2NPC1
SCHEMBL6230362 0.84 LMNA (0.47) TSHREPHX1RXFP1EPHX2NPC1
SCHEMBL5608094 0.83 ALDH1A1 (0.47) TSHREPHX1EPHX2GLAALDH1A1
SCHEMBL6228020 0.82 GRIN2D (0.48) TSHREPHX1RXFP1EPHX2NPC1
SCHEMBL6229153 0.81 DPP8 (0.47) TSHREPHX1EPHX2GLAKMT2A
SCHEMBL14341840 0.81 EPHX2 (0.61) EPHX1EPHX2GLAALDH1A1KMT2A
SCHEMBL6225929 0.80 GLA (0.46) TSHREPHX1RXFP1EPHX2GLA
SCHEMBL6058833 0.80 RXFP1 (0.57) TSHREPHX1RXFP1NPC1RAB9A
SCHEMBL5608347 0.79 RXFP1 (0.42) TSHREPHX1RXFP1EPHX2NPC1
SCHEMBL6227525 0.79 TSHR (0.42) TSHREPHX1EPHX2GLAALDH1A1

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-1574494-A1 Adamantane derivative Daicel Chemical Industries, Ltd. (JP) 2005-09-14 EP disclosed
EP-1574495-A1 Adamantane derivatives 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