SCHEMBL11026580

SCHEMBL11026580

CC(CO)(CO)COCCCCO

nearest known ligand 0.41

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CYP4F2 P78329 1/20 0.41
CYP4A11 Q02928 1/20 0.41
MEN1 O00255 1/20 0.35
THRB P10828 1/20 0.35
HTT P42858 1/20 0.35
KMT2A Q03164 1/20 0.35
MAPT P10636 1/20 0.35
TSHR P16473 1/20 0.34
CES1 P23141 1/20 0.34
GAA P10253 1/20 0.33
GBA2 Q9HCG7 2/20 0.32
SMN1; SMN2 Q16637 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
SCHEMBL9634150 0.83 TSHR (0.45) MEN1THRBHTTKMT2AMAPT
SCHEMBL8931996 0.83 TSHR (0.39) CYP4F2CYP4A11MEN1THRBHTT
SCHEMBL27100322 0.83 MEN1 (0.33) MEN1KMT2A
SCHEMBL16098746 0.82 CYP4F2 (0.41) CYP4F2CYP4A11MEN1THRBHTT
SCHEMBL3103683 0.81 GBA2 (0.44) CYP4F2CYP4A11MEN1THRBHTT
SCHEMBL887505 0.80 CES1 (0.33) CYP4F2CYP4A11TSHRCES1
SCHEMBL16098460 0.80 CYP4F2 (0.40) CYP4F2CYP4A11MEN1THRBHTT
SCHEMBL5961104 0.79 GBA2 (0.46) CYP4F2CYP4A11MEN1THRBHTT
SCHEMBL7289793 0.79 CYP4F2 (0.42) CYP4F2CYP4A11MEN1THRBHTT
SCHEMBL10141555 0.79

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-0049840-B1 PROCESS FOR THE PRODUCTION OF RELIEF COPIES HOECHST AKTIENGESELLSCHAFT (DE) 1985-01-09 EP disclosed