SCHEMBL19810004

SCHEMBL19810004

COC(=O)CC(O)(CCCC(C)(C)OCc1ccccc1)C(=O)OC

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.40
MEN1 O00255 1/20 0.40
ALDH1A1 P00352 3/20 0.36
KDM4E B2RXH2 1/20 0.36
LMNA P02545 1/20 0.36
PTPRB P23467 3/20 0.35
PTPN2 P17706 2/20 0.35
PTPN1 P18031 2/20 0.35
PTPRA P18433 1/20 0.35
PTPRC P08575 1/20 0.35
PTPRG P23470 1/20 0.35
ACP1 P24666 1/20 0.35
SRC P12931 1/20 0.35
GAA P10253 1/20 0.34
CA12 O43570 1/20 0.34
CA7 P43166 1/20 0.34
CA9 Q16790 1/20 0.34
CA14 Q9ULX7 1/20 0.34
MBOAT4 Q96T53 1/20 0.34
KCNN4 O15554 1/20 0.34

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
SCHEMBL19810002 1.00 KMT2A (0.40) KMT2AMEN1ALDH1A1KDM4ELMNA
SCHEMBL19809989 0.91 MEN1 (0.41) KMT2AMEN1KDM4ELMNAPTPRB
SCHEMBL19809990 0.91 MEN1 (0.41) KMT2AMEN1KDM4ELMNAPTPRB
SCHEMBL8089063 0.80 MAPT (0.43) KMT2AMEN1KDM4ELMNAPTPRB
SCHEMBL19829243 0.79 MEN1 (0.37) KMT2AMEN1ALDH1A1KDM4ELMNA
SCHEMBL19810007 0.76 MEN1 (0.39) KMT2AMEN1ALDH1A1KDM4ELMNA
SCHEMBL19810006 0.76 MEN1 (0.39) KMT2AMEN1ALDH1A1KDM4ELMNA
SCHEMBL17200135 0.76 PTPN1 (0.46) KMT2AMEN1ALDH1A1KDM4ELMNA
SCHEMBL19809988 0.74 USP2 (0.37) KMT2AMEN1ALDH1A1LMNAGAA
SCHEMBL19809986 0.74 USP2 (0.37) KMT2AMEN1ALDH1A1LMNAGAA

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