SCHEMBL18536620

SCHEMBL18536620

CON=C1C(=O)OC(C)(C)OC1=O

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 12/20 0.43
HTT P42858 1/20 0.43
LMNA P02545 3/20 0.40
GAA P10253 2/20 0.40
MAPT P10636 2/20 0.40
L3MBTL1 Q9Y468 2/20 0.40
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37
PTPN1 P18031 4/20 0.36
KMT2A Q03164 1/20 0.35
HSD17B10 Q99714 3/20 0.33
MAPK1 P28482 1/20 0.33
CASP1 P29466 1/20 0.31
CASP7 P55210 1/20 0.31
ACP1 P24666 2/20 0.31
CDC25B P30305 2/20 0.31
CRHBP P24387 1/20 0.31
CRHR2 Q13324 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.30

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
SCHEMBL9130659 0.71 LMNA (0.46) ALDH1A1HTTLMNAGAAMAPT
SCHEMBL9730908 0.71
SCHEMBL796744 0.67 KMT2A (0.44) ALDH1A1L3MBTL1PTPN1KMT2AHSD17B10
SCHEMBL15564116 0.64 PTPN1 (0.50) ALDH1A1HTTLMNAGAAMAPT
SCHEMBL91068 0.62 PTPN1 (0.43) ALDH1A1HTTLMNAGAAMAPT
SCHEMBL10360973 0.62 PTPN1 (0.43) ALDH1A1HTTLMNAGAAMAPT
SCHEMBL15564118 0.61 KMT2A (0.40) ALDH1A1LMNAL3MBTL1PTPN1KMT2A
SCHEMBL3077632 0.60 PTPN1 (0.47) ALDH1A1L3MBTL1PTPN1KMT2ACRHBP
SCHEMBL12041925 0.60 ALDH1A1 (0.45) ALDH1A1LMNAL3MBTL1PTPN1KMT2A
SCHEMBL5117712 0.60

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
EP-3133062-A1 PROCESS FOR THE PREPARATION OF A PHARMACEUTICAL AGENT Zaklady Farmaceutyczne Polpharma SA (PL) 2017-02-22 EP disclosed