SCHEMBL7345681

SCHEMBL7345681

CC(C)(C)OC(=O)N1CCOCC1(Cc1ccccc1)Cc1ccccc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.40
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
USP2 O75604 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
STS P08842 1/20 0.39
OPRD1 P41143 1/20 0.38
OPRK1 P41145 1/20 0.38
GAA P10253 1/20 0.38
THRB P10828 1/20 0.38
GPR119 Q8TDV5 2/20 0.38
JAK2 O60674 1/20 0.38
JAK1 P23458 1/20 0.38
ACHE P22303 1/20 0.37
ALDH1A1 P00352 1/20 0.37
CYP1A2 P05177 1/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2C19 P33261 1/20 0.37
POLB P06746 1/20 0.37
KDM4E B2RXH2 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
SCHEMBL17608848 0.79 NPFFR1 (0.46) SMN1; SMN2USP2OPRD1OPRK1ALDH1A1
SCHEMBL4321471 0.78 STS (0.39) SMN1; SMN2KMT2ASTSOPRD1OPRK1
SCHEMBL14665087 0.78
SCHEMBL13452646 0.78 SMN1; SMN2 (0.47) SMN1; SMN2MEN1KMT2AUSP2NPSR1
SCHEMBL6039864 0.76 JAK2 (0.43) SMN1; SMN2STSOPRD1OPRK1GAA
SCHEMBL34467360 0.74 MEN1 (0.51) SMN1; SMN2MEN1KMT2AUSP2NPSR1
SCHEMBL28941207 0.73 STS (0.40) STSOPRD1OPRK1GPR119JAK2
SCHEMBL1843456 0.72
SCHEMBL14828673 0.72 OPRD1 (0.43) OPRD1OPRK1
SCHEMBL15552400 0.72 MEN1 (0.43) SMN1; SMN2MEN1KMT2ANPSR1CYP2C19

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-1992003429-A1 RENIN INHIBITORS ABBOTT LABORATORIES (US) 1992-03-05 WO disclosed