SCHEMBL7077340

SCHEMBL7077340

CCOC(OCC)C(=O)OCC(F)(F)F

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.56
ALDH1A1 P00352 3/20 0.33
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
FABP7 O15540 1/20 0.33
HSD17B10 Q99714 2/20 0.32
LMNA P02545 1/20 0.32
MEN1 O00255 1/20 0.32
TSHR P16473 1/20 0.32
KMT2A Q03164 1/20 0.32
PLA2G2C Q5R387 1/20 0.31
ALOX15 P16050 1/20 0.31
MGAM O43451 1/20 0.31
GAA P10253 1/20 0.31
SI P14410 1/20 0.31
MGAM2 Q2M2H8 1/20 0.31
SOAT1 P35610 1/20 0.31
THRB P10828 1/20 0.31
ACACB O00763 1/20 0.31

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
SCHEMBL9937312 0.81 HTT (0.39) HTTALDH1A1PLA2G2CACACB
SCHEMBL143815 0.76 ALDH1A1 (0.50) ALDH1A1NPC1HSD17B10LMNAMEN1
SCHEMBL15443496 0.76 HTT (0.58) HTTALDH1A1NPC1RAB9ASMN1; SMN2
SCHEMBL28152546 0.75 HTT (0.52) HTTALDH1A1NPC1RAB9ASMN1; SMN2
SCHEMBL805296 0.75 HTT (0.62) HTTALDH1A1FABP7HSD17B10MEN1
SCHEMBL28371570 0.75 HTT (0.62) HTTALDH1A1FABP7HSD17B10MEN1
SCHEMBL8308167 0.74 HTT (0.56) HTTALDH1A1NPC1RAB9ASMN1; SMN2
SCHEMBL9937560 0.74 HTT (0.56) HTTALDH1A1FABP7HSD17B10MEN1
SCHEMBL11217411 0.74 ALDH1A1 (0.48) ALDH1A1NPC1HSD17B10LMNAMEN1
SCHEMBL18211788 0.73 HTT (0.48) HTTALDH1A1NPC1RAB9ASMN1; SMN2

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
WO-2003057687-A1 METHODS FOR PREPARING DOXORUBICIN DERIVATIVES ALBANY MOLECULAR RESEARCH, INC. (US) 2003-07-17 WO disclosed