SCHEMBL20355261

SCHEMBL20355261

CCC1(CC(C)=O)CCN(C(=O)OC(C)(C)C)CC1

nearest known ligand 0.45

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
USP2 O75604 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
HPGD P15428 1/20 0.39
EPHX2 P34913 1/20 0.39
RECQL P46063 1/20 0.38
EPHX1 P07099 1/20 0.38
DDB1 Q16531 1/20 0.37
CRBN Q96SW2 1/20 0.37
NR1H2 P55055 1/20 0.37
ALOX15 P16050 1/20 0.36
TSHR P16473 1/20 0.36
ATM Q13315 1/20 0.36
GPR119 Q8TDV5 3/20 0.36
TACR1 P25103 1/20 0.36
OPRD1 P41143 1/20 0.36
OPRK1 P41145 1/20 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
SCHEMBL25630169 0.89 USP2 (0.51) USP2SMN1; SMN2HPGDEPHX2RECQL
SCHEMBL12884306 0.84 USP2 (0.47) USP2SMN1; SMN2HPGDEPHX2RECQL
SCHEMBL23033334 0.83 USP2 (0.46) USP2SMN1; SMN2HPGDEPHX2RECQL
SCHEMBL21148250 0.83 USP2 (0.46) USP2SMN1; SMN2HPGDEPHX2RECQL
SCHEMBL25845775 0.81 USP2 (0.47) USP2SMN1; SMN2HPGDEPHX2RECQL
SCHEMBL15709897 0.81 USP2 (0.47) USP2SMN1; SMN2HPGDEPHX2RECQL
SCHEMBL27127518 0.81 USP2 (0.47) USP2SMN1; SMN2HPGDEPHX2RECQL
SCHEMBL22907187 0.81 USP2 (0.44) USP2SMN1; SMN2HPGDEPHX2RECQL
SCHEMBL346018 0.81 USP2 (0.44) USP2SMN1; SMN2HPGDEPHX2RECQL
SCHEMBL345355 0.79 JAK2 (0.44) USP2SMN1; SMN2

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-2018121758-A1 QUINAZOLINE COMPOUND FOR EGFR INHIBITION 南京明德新药研发股份有限公司 2018-07-05 WO disclosed