SCHEMBL7750228

SCHEMBL7750228

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

nearest known ligand 0.49

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
USP2 O75604 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
HPGD P15428 1/20 0.42
EPHX2 P34913 1/20 0.41
RECQL P46063 1/20 0.40
EPHX1 P07099 1/20 0.40
NR1H2 P55055 1/20 0.40
DDB1 Q16531 1/20 0.39
CRBN Q96SW2 1/20 0.39
ALOX15 P16050 1/20 0.38
TSHR P16473 1/20 0.38
ATM Q13315 1/20 0.38
GPR119 Q8TDV5 3/20 0.38
TACR1 P25103 1/20 0.38
OPRD1 P41143 1/20 0.38
OPRK1 P41145 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
SCHEMBL19123466 0.90 USP2 (0.42) USP2SMN1; SMN2HPGDEPHX2RECQL
SCHEMBL6429604 0.87 USP2 (0.49) USP2SMN1; SMN2HPGDEPHX2RECQL
SCHEMBL25245464 0.87 USP2 (0.49) USP2SMN1; SMN2HPGDEPHX2RECQL
SCHEMBL25630169 0.83 USP2 (0.51) USP2SMN1; SMN2HPGDEPHX2RECQL
SCHEMBL10172533 0.81 USP2 (0.50) USP2SMN1; SMN2HPGDEPHX2RECQL
SCHEMBL2945193 0.81 USP2 (0.50) USP2SMN1; SMN2HPGDEPHX2RECQL
SCHEMBL6914295 0.81 USP2 (0.50) USP2SMN1; SMN2HPGDEPHX2RECQL
SCHEMBL15770602 0.81 USP2 (0.53) USP2SMN1; SMN2HPGDEPHX2RECQL
SCHEMBL1954007 0.80 USP2 (0.49) USP2SMN1; SMN2HPGDEPHX2RECQL
SCHEMBL25204559 0.79 USP2 (0.45) USP2SMN1; SMN2HPGDEPHX2RECQL

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
US-6297260-B1 Nitrosated and nitrosylated nonsteroidal antiinflammatory compounds, compositions and methods of use NITROMED, INC. 2001-10-02 US disclosed