SCHEMBL21254445

SCHEMBL21254445

CC(C)(C)OC(=O)N1CCOC2(CCOCC2)C1

nearest known ligand 0.59

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.59
USP2 O75604 1/20 0.59
RECQL P46063 1/20 0.49
MGLL Q99685 1/20 0.37
EPHX2 P34913 2/20 0.37
SCD5 Q86SK9 1/20 0.36
PIK3CA P42336 5/20 0.36
MTOR P42345 1/20 0.36
HPGD P15428 1/20 0.35
PIK3R1 P27986 4/20 0.35
PIK3CD O00329 2/20 0.35
PIK3CB P42338 2/20 0.35
GPR119 Q8TDV5 1/20 0.35
EIF2AK4 Q9P2K8 1/20 0.35
NAMPT P43490 1/20 0.35
CYP11B2 P19099 1/20 0.35

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
SCHEMBL29579532 0.92 USP2 (0.56) SMN1; SMN2USP2RECQLMGLLEPHX2
SCHEMBL31197156 0.90 USP2 (0.53) SMN1; SMN2USP2RECQLMGLLEPHX2
SCHEMBL714947 0.90 USP2 (0.53) SMN1; SMN2USP2RECQLMGLLEPHX2
SCHEMBL22297500 0.87 USP2 (0.50) SMN1; SMN2USP2RECQLMGLLEPHX2
SCHEMBL19320633 0.87 USP2 (0.50) SMN1; SMN2USP2RECQLMGLLEPHX2
SCHEMBL2960741 0.86 USP2 (0.51) SMN1; SMN2USP2RECQLMGLLEPHX2
SCHEMBL993522 0.86 USP2 (0.49) SMN1; SMN2USP2RECQLMGLLEPHX2
SCHEMBL24692803 0.85 SMN1; SMN2 (0.59) SMN1; SMN2USP2RECQLEPHX2SCD5
SCHEMBL31309984 0.85 SMN1; SMN2 (0.54) SMN1; SMN2USP2RECQLMGLLEPHX2
SCHEMBL24379120 0.85 USP2 (0.48) SMN1; SMN2USP2RECQLMGLLEPHX2

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-3113780-B1 HIV PROTEASE INHIBITORS MERCK SHARP & DOHME (US) 2019-08-14 EP disclosed