SCHEMBL7169883

SCHEMBL7169883

CC(C)(C)OC(=O)N1CCC([O-])(CCC[O-])CC1.[Pd+2]

nearest known ligand 0.43

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
USP2 O75604 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
GPR119 Q8TDV5 7/20 0.39
MMP13 P45452 5/20 0.39
ADAM17 P78536 5/20 0.39
MMP2 P08253 2/20 0.39
MMP14 P50281 1/20 0.39
HPGD P15428 1/20 0.38
EPHX2 P34913 1/20 0.37
CYP4F2 P78329 1/20 0.37
CYP4A11 Q02928 1/20 0.37

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
SCHEMBL7095095 0.79 USP2 (0.39) USP2SMN1; SMN2GPR119HPGDEPHX2
SCHEMBL7169881 0.72 CYP4F2 (0.46) USP2SMN1; SMN2GPR119MMP13ADAM17
SCHEMBL13232132 0.72 USP2 (0.53) USP2SMN1; SMN2GPR119HPGDEPHX2
SCHEMBL346995 0.71 USP2 (0.56) USP2SMN1; SMN2GPR119HPGDEPHX2
SCHEMBL3436829 0.71 USP2 (0.56) USP2SMN1; SMN2GPR119HPGDEPHX2
SCHEMBL2204005 0.71 USP2 (0.49) USP2SMN1; SMN2GPR119HPGDEPHX2
SCHEMBL17861638 0.71 USP2 (0.45) USP2SMN1; SMN2GPR119HPGDEPHX2
SCHEMBL597478 0.71 GPR4 (0.46) USP2SMN1; SMN2GPR119HPGDEPHX2
SCHEMBL1575709 0.71 CYP4F2 (0.47) USP2SMN1; SMN2GPR119HPGDEPHX2
SCHEMBL21644242 0.71 CYP4F2 (0.47) USP2SMN1; SMN2GPR119HPGDEPHX2

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1286967-A1 CYCLOHEXANE DERIVATIVES AND THEIR USE AS THERAPEUTIC AGENTS MERCK SHARP & DOHME LTD. (GB) 2003-03-05 EP disclosed
WO-2001087838-A1 CYCLOHEXANE DERIVATIVES AND THEIR USE AS THERAPEUTIC AGENTS MERCK SHARP & DOHME LIMITED (GB) 2001-11-22 WO disclosed