SCHEMBL19810006

SCHEMBL19810006

COC(=O)C[C@](O)(CC#CC(C)(C)OCc1ccccc1)C(=O)OC

nearest known ligand 0.39

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
ALDH1A1 P00352 4/20 0.35
KDM4E B2RXH2 1/20 0.35
LMNA P02545 1/20 0.35
SRC P12931 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
HTT P42858 2/20 0.33
KCNN4 O15554 1/20 0.33
PTPN1 P18031 1/20 0.32
CTRB1 P17538 1/20 0.32

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
SCHEMBL19810007 1.00 MEN1 (0.39) MEN1KMT2AALDH1A1KDM4ELMNA
SCHEMBL18229667 0.92 ALDH1A1 (0.36) MEN1KMT2AALDH1A1KDM4ELMNA
SCHEMBL18229666 0.92 ALDH1A1 (0.36) MEN1KMT2AALDH1A1KDM4ELMNA
SCHEMBL19829243 0.89 MEN1 (0.37) MEN1KMT2AALDH1A1KDM4ELMNA
SCHEMBL18229652 0.87 MEN1 (0.33) MEN1KMT2AALDH1A1KDM4ELMNA
SCHEMBL18229654 0.87 MEN1 (0.33) MEN1KMT2AALDH1A1KDM4ELMNA
SCHEMBL19809983 0.81 LMNA (0.41) MEN1KMT2AALDH1A1KDM4ELMNA
SCHEMBL19809984 0.81 LMNA (0.41) MEN1KMT2AALDH1A1KDM4ELMNA
SCHEMBL17200135 0.77 PTPN1 (0.46) MEN1KMT2AALDH1A1KDM4ELMNA
SCHEMBL18229734 0.76 LMNA (0.33) MEN1KMT2AALDH1A1KDM4ELMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2018019549-A1 DIOXOLANONE INTERMEDIATE USEFUL IN THE SYNTHESIS OF HOMOHARRINGTONINE INDENA S.P.A. (IT) 2018-02-01 WO claimed
EP-3275875-A1 DIOXOLANONE INTERMEDIATE USEFUL IN THE SYNTHESIS OF HOMOHARRINGTONINE INDENA S.p.A. (IT) 2018-01-31 EP claimed
WO-2018019549-A1 DIOXOLANONE INTERMEDIATE USEFUL IN THE SYNTHESIS OF HOMOHARRINGTONINE INDENA S.P.A. (IT) 2018-02-01 WO disclosed
EP-3275875-A1 DIOXOLANONE INTERMEDIATE USEFUL IN THE SYNTHESIS OF HOMOHARRINGTONINE INDENA S.p.A. (IT) 2018-01-31 EP disclosed