SCHEMBL9550358

SCHEMBL9550358

COC(=O)C1CCC(C(O)C2CCC(C(=O)OC)CC2)CC1

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.44
SMN1; SMN2 Q16637 3/20 0.42
CHRNB2 P17787 2/20 0.39
CHRNA4 P43681 2/20 0.39
CHRNB4 P30926 1/20 0.39
CHRNA3 P32297 1/20 0.39
CHRNA7 P36544 1/20 0.39
POLB P06746 1/20 0.39
GAA P10253 1/20 0.39
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
PPM1B O75688 1/20 0.37
PTPN1 P18031 1/20 0.37
PPP1CC P36873 1/20 0.37
IDO1 P14902 1/20 0.37
BRD4 O60885 1/20 0.36
ALDH1A1 P00352 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
SCHEMBL17803033 1.00 TP53 (0.44) TP53SMN1; SMN2CHRNB2CHRNA4CHRNB4
SCHEMBL21702260 0.87 TP53 (0.44) TP53SMN1; SMN2CHRNB2CHRNA4CHRNB4
SCHEMBL17803098 0.85 TP53 (0.43) TP53SMN1; SMN2CHRNB2CHRNA4CHRNB4
SCHEMBL2200767 0.83 TP53 (0.56) TP53SMN1; SMN2CHRNB2CHRNA4CHRNB4
SCHEMBL244740 0.83
SCHEMBL74396 0.83 TP53 (0.56) TP53SMN1; SMN2CHRNB2CHRNA4CHRNB4
SCHEMBL2948892 0.83 TP53 (0.56) TP53SMN1; SMN2CHRNB2CHRNA4CHRNB4
SCHEMBL254889 0.83 TP53 (0.44) TP53SMN1; SMN2CHRNB2CHRNA4CHRNB4
SCHEMBL9237133 0.83 TP53 (0.44) TP53SMN1; SMN2CHRNB2CHRNA4CHRNB4
SCHEMBL1467609 0.83 TP53 (0.44) TP53SMN1; SMN2CHRNB2CHRNA4CHRNB4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5216173-A Curing agents for epoxy resins; polyimides HENKEL RESEARCH CORPORATION (US) 1993-06-01 US disclosed
EP-0484381-A1 N-CYANOIMIDES AND PROCESS FOR THEIR PREPARATION AND USES THEREOF HENKEL RESEARCH CORPORATION (US) 1992-05-13 EP disclosed
WO-1991001307-A2 N-CYANOIMIDES AND PROCESS FOR THEIR PREPARATION AND USES THEREOF HENKEL RESEARCH CORPORATION (US) 1991-02-07 WO disclosed