SCHEMBL2319028

SCHEMBL2319028

C[C@H]1C[C@H]2CC[C@]1(C(N)=O)C2(C)C

nearest known ligand 0.37

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.35
EPHX2 P34913 2/20 0.33
NPSR1 Q6W5P4 1/20 0.31
KMT2A Q03164 2/20 0.31
MAPT P10636 1/20 0.31
MAPK1 P28482 1/20 0.31
ALDH1A1 P00352 1/20 0.30
MEN1 O00255 1/20 0.30

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
SCHEMBL3455318 1.00 TDP1 (0.37) TDP1L3MBTL1EPHX2NPSR1KMT2A
SCHEMBL12308355 0.77 RET (0.35) TDP1L3MBTL1EPHX2
SCHEMBL27874091 0.72 TDP1 (0.34) TDP1L3MBTL1NPSR1
SCHEMBL11272711 0.68 NPSR1 (0.35) EPHX2NPSR1KMT2AMAPTMAPK1
SCHEMBL19005981 0.68 NPSR1 (0.35) EPHX2NPSR1KMT2AMAPTMAPK1
SCHEMBL11272713 0.68 NPSR1 (0.35) EPHX2NPSR1KMT2AMAPTMAPK1
SCHEMBL3455322 0.67 CHRNB2 (0.33) KMT2AMAPTMAPK1ALDH1A1MEN1
SCHEMBL654309 0.66 EPHX2 (0.40) EPHX2KMT2AMAPTMAPK1ALDH1A1
Methacrylic Acid SCHEMBL10543747 0.64 EPHX2 (0.40) EPHX2NPSR1KMT2AMAPTMAPK1
SCHEMBL12308356 0.64 NPSR1 (0.33) EPHX2NPSR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1928840-B1 1H-Pyrazole-4-carboxamides, their preparation and their use as 11-beta-hydroxysteroid dehydrogenase inhibitors HOFFMANN LA ROCHE (CH) 2011-08-10 EP claimed