SCHEMBL19809983

SCHEMBL19809983

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

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.41
KDM4E B2RXH2 3/20 0.41
KMT2A Q03164 2/20 0.41
MEN1 O00255 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP2D6 P10635 1/20 0.41
SLC13A5 Q86YT5 10/20 0.40
ALDH1A1 P00352 2/20 0.36
CYP2C19 P33261 1/20 0.36
HIF1A Q16665 1/20 0.36
SLC6A2 P23975 1/20 0.35
SLC6A3 Q01959 1/20 0.35
TDP1 Q9NUW8 1/20 0.35

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
SCHEMBL19809984 1.00 LMNA (0.41) LMNAKDM4EKMT2AMEN1CYP1A2
SCHEMBL18229666 0.89 ALDH1A1 (0.36) LMNAKDM4EKMT2AMEN1SLC13A5
SCHEMBL18229667 0.89 ALDH1A1 (0.36) LMNAKDM4EKMT2AMEN1SLC13A5
SCHEMBL19831915 0.82 ALDH1A1 (0.34) KMT2AALDH1A1CYP2C19HIF1ASLC6A2
SCHEMBL18229734 0.82 LMNA (0.33) LMNAKDM4EKMT2AMEN1CYP1A2
SCHEMBL18229702 0.82 LMNA (0.33) LMNAKDM4EKMT2AMEN1CYP1A2
SCHEMBL19810006 0.81 MEN1 (0.39) LMNAKDM4EKMT2AMEN1ALDH1A1
SCHEMBL19810007 0.81 MEN1 (0.39) LMNAKDM4EKMT2AMEN1ALDH1A1
SCHEMBL18229656 0.74 ALDH1A1 (0.38) LMNAKDM4ECYP1A2ALDH1A1CYP2C19
SCHEMBL20156625 0.74 SLC13A5 (0.32) LMNAKDM4EKMT2AMEN1SLC13A5

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