SCHEMBL6225929

SCHEMBL6225929

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

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
GLA P06280 1/20 0.46
RXFP1 Q9HBX9 1/20 0.46
ALDH1A1 P00352 5/20 0.45
TSHR P16473 2/20 0.43
L3MBTL1 Q9Y468 2/20 0.42
MEN1 O00255 3/20 0.42
KMT2A Q03164 3/20 0.42
NPSR1 Q6W5P4 2/20 0.42
MAPT P10636 2/20 0.42
USP2 O75604 2/20 0.41
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.39
EPHX1 P07099 1/20 0.39
EPHX2 P34913 1/20 0.39
POLB P06746 2/20 0.39
KDM4E B2RXH2 1/20 0.39
ESR2 Q92731 1/20 0.38
THRB P10828 1/20 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
SCHEMBL6058833 0.87 RXFP1 (0.57) RXFP1ALDH1A1TSHRL3MBTL1MEN1
SCHEMBL5804382 0.87 MEN1 (0.51) GLARXFP1ALDH1A1TSHRL3MBTL1
SCHEMBL6229204 0.83 KMT2A (0.46) GLARXFP1ALDH1A1TSHRMEN1
SCHEMBL163027 0.82 NPSR1 (0.53) GLAALDH1A1TSHRMEN1KMT2A
SCHEMBL9915220 0.82 ALDH1A1 (0.43) GLARXFP1ALDH1A1TSHRL3MBTL1
SCHEMBL5608094 0.80 ALDH1A1 (0.47) GLAALDH1A1TSHRMEN1KMT2A
SCHEMBL6252048 0.80 TSHR (0.45) GLARXFP1ALDH1A1TSHRMEN1
SCHEMBL12106949 0.80 MEN1 (0.47) GLARXFP1ALDH1A1TSHRL3MBTL1
SCHEMBL6228106 0.79 LMNA (0.51) RXFP1ALDH1A1L3MBTL1MEN1KMT2A
SCHEMBL6229217 0.79 EPHX2 (0.46) TSHRMEN1KMT2AEPHX2

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