SCHEMBL31184432

SCHEMBL31184432

C[C@H]1OCC2(CCN(C(=O)OC(C)(C)C)CC2)[C@@H]1N[S@+]([O-])C(C)(C)C

nearest known ligand 0.37

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ USP2 O75604 1/20 0.37
▸ SMN1; SMN2 Q16637 1/20 0.37
▸ GPR119 Q8TDV5 3/20 0.36
▸ EPHX2 P34913 1/20 0.36
▸ NAMPT P43490 8/20 0.35
▸ RECQL P46063 1/20 0.34
▸ EPHX1 P07099 1/20 0.34
▸ HPGD P15428 1/20 0.33

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
SCHEMBL16925032 1.00 USP2 (0.37) USP2SMN1; SMN2GPR119EPHX2NAMPT
SCHEMBL30197578 1.00 USP2 (0.37) USP2SMN1; SMN2GPR119EPHX2NAMPT
SCHEMBL30197599 1.00 USP2 (0.37) USP2SMN1; SMN2GPR119EPHX2NAMPT
SCHEMBL16925343 1.00 USP2 (0.37) USP2SMN1; SMN2GPR119EPHX2NAMPT
SCHEMBL18330203 1.00 USP2 (0.37) USP2SMN1; SMN2GPR119EPHX2NAMPT
SCHEMBL30727455 1.00 USP2 (0.37) USP2SMN1; SMN2GPR119EPHX2NAMPT
SCHEMBL29760900 1.00 USP2 (0.37) USP2SMN1; SMN2GPR119EPHX2NAMPT
SCHEMBL20571735 1.00 USP2 (0.37) USP2SMN1; SMN2GPR119EPHX2NAMPT
SCHEMBL22084450 1.00 USP2 (0.37) USP2SMN1; SMN2GPR119EPHX2NAMPT
SCHEMBL20337453 1.00 USP2 (0.37) USP2SMN1; SMN2GPR119EPHX2NAMPT

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
CN-112625028-B Compounds and compositions for inhibiting SHP2 activity 诺华股份有限公司 2024-10-29 — — CN disclosed
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