SCHEMBL22016006

SCHEMBL22016006

CC(C)(C)OC(=O)N1CCC2(CCOC2)C(N[S@+]([O-])C(C)(C)C)C1

nearest known ligand 0.39

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
USP2 O75604 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
RECQL P46063 1/20 0.36
GPR119 Q8TDV5 3/20 0.33
EPHX2 P34913 1/20 0.32
NAMPT P43490 7/20 0.32
CCR2 P41597 1/20 0.32
MMP1 P03956 1/20 0.32
MMP3 P08254 1/20 0.32
MMP7 P09237 1/20 0.32
MMP9 P14780 1/20 0.32
PTPN11 Q06124 1/20 0.32
EPHX1 P07099 1/20 0.31

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
SCHEMBL18392380 0.86 USP2 (0.41) USP2SMN1; SMN2RECQLGPR119EPHX2
SCHEMBL30833164 0.86 USP2 (0.41) USP2SMN1; SMN2RECQLGPR119EPHX2
SCHEMBL30197470 0.86 USP2 (0.41) USP2SMN1; SMN2RECQLGPR119EPHX2
SCHEMBL18328440 0.86 USP2 (0.41) USP2SMN1; SMN2RECQLGPR119EPHX2
SCHEMBL20337474 0.86 USP2 (0.41) USP2SMN1; SMN2RECQLGPR119EPHX2
SCHEMBL16914302 0.85 EPHX1 (0.36) USP2SMN1; SMN2GPR119EPHX2NAMPT
SCHEMBL21851991 0.85 EPHX1 (0.36) USP2SMN1; SMN2GPR119EPHX2NAMPT
SCHEMBL21851984 0.83 GPR119 (0.34) USP2SMN1; SMN2GPR119EPHX2NAMPT
SCHEMBL21851847 0.79 KDM1A (0.41) GPR119NAMPT
SCHEMBL31336383 0.78 EPHX1 (0.40) USP2SMN1; SMN2RECQLGPR119EPHX2

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