SCHEMBL22015497

SCHEMBL22015497

CC(C)(C)OC(=O)N1CCC2(CC1)CCC(F)(F)[C@H]2NSC(C)(C)C

nearest known ligand 0.38

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 1/20 0.38
USP2 O75604 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
EPHX1 P07099 1/20 0.37
GPR119 Q8TDV5 2/20 0.36
HPGD P15428 1/20 0.36
NAMPT P43490 9/20 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
SCHEMBL19735962 0.85 EPHX2 (0.41) EPHX2USP2SMN1; SMN2EPHX1GPR119
SCHEMBL31184369 0.80 GPR119 (0.39) EPHX2USP2SMN1; SMN2EPHX1GPR119
SCHEMBL30929681 0.79 GPR119 (0.37) EPHX2USP2SMN1; SMN2EPHX1GPR119
SCHEMBL19641350 0.79 GPR119 (0.37) EPHX2USP2SMN1; SMN2EPHX1GPR119
SCHEMBL16925393 0.79 GPR119 (0.37) EPHX2USP2SMN1; SMN2EPHX1GPR119
SCHEMBL22814615 0.76 USP2 (0.40) EPHX2USP2SMN1; SMN2EPHX1GPR119
SCHEMBL22814424 0.76 USP2 (0.40) EPHX2USP2SMN1; SMN2EPHX1GPR119
SCHEMBL20977338 0.76 EPHX1 (0.45) EPHX2USP2SMN1; SMN2EPHX1GPR119
SCHEMBL20460932 0.75 EPHX2 (0.43) EPHX2USP2SMN1; SMN2EPHX1GPR119
SCHEMBL19736069 0.75 USP2 (0.43) EPHX2USP2SMN1; SMN2EPHX1GPR119

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-3468972-B1 COMPOUNDS AND COMPOSITIONS FOR INHIBITING THE ACTIVITY OF SHP2 NOVARTIS AG (CH) 2020-05-20 EP disclosed