SCHEMBL22168315

SCHEMBL22168315

CCC[C@H]1CN(C(=O)OC(C)(C)C)CCO1

nearest known ligand 0.50

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ USP2 O75604 1/20 0.50
▸ SMN1; SMN2 Q16637 1/20 0.50
▸ RECQL P46063 1/20 0.45
▸ EPHA2 P29317 4/20 0.42
▸ NR1H2 P55055 1/20 0.41
▸ MAPT P10636 2/20 0.40
▸ MEN1 O00255 1/20 0.40
▸ ALDH1A1 P00352 1/20 0.40
▸ KMT2A Q03164 1/20 0.40
▸ PDK1 Q15118 4/20 0.40
▸ ERBB2 P04626 1/20 0.40
▸ EPHB4 P54760 1/20 0.40
▸ KDM4E B2RXH2 1/20 0.39
▸ THRB P10828 1/20 0.39
▸ HPGD P15428 1/20 0.38

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
SCHEMBL23877994 1.00 USP2 (0.50) USP2SMN1; SMN2RECQLEPHA2NR1H2
SCHEMBL31040994 0.89 USP2 (0.50) USP2SMN1; SMN2RECQLEPHA2NR1H2
SCHEMBL1655537 0.89 USP2 (0.50) USP2SMN1; SMN2RECQLEPHA2NR1H2
SCHEMBL10172553 0.88 USP2 (0.53) USP2SMN1; SMN2RECQLEPHA2NR1H2
SCHEMBL9974295 0.88 USP2 (0.53) USP2SMN1; SMN2RECQLEPHA2NR1H2
SCHEMBL10172566 0.88 USP2 (0.53) USP2SMN1; SMN2RECQLEPHA2NR1H2
SCHEMBL19448345 0.87 USP2 (0.49) USP2SMN1; SMN2RECQLEPHA2NR1H2
SCHEMBL18689612 0.87 USP2 (0.49) USP2SMN1; SMN2RECQLEPHA2NR1H2
SCHEMBL19439155 0.87 USP2 (0.49) USP2SMN1; SMN2RECQLEPHA2NR1H2
SCHEMBL1919855 0.87 USP2 (0.49) USP2SMN1; SMN2RECQLEPHA2NR1H2

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
WO-2020135771-A1 HETEROCYCLIC COMPOUND INTERMEDIATE, PREPARATION METHOD THEREFOR AND APPLICATION THEREOF 武汉朗来科技发展有限公司 2020-07-02 — — WO disclosed
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