SCHEMBL9068700

SCHEMBL9068700

CC(=O)C(F)(F)F.CCOC(=O)C(F)(F)F

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.46
LMNA P02545 1/20 0.46
HSD17B10 Q99714 1/20 0.46
PKM P14618 2/20 0.44
KDM4E B2RXH2 1/20 0.44
THRB P10828 1/20 0.42
HTT P42858 1/20 0.41
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
ALOX15 P16050 1/20 0.39
MGAM O43451 1/20 0.39
GAA P10253 1/20 0.39
SI P14410 1/20 0.39
MGAM2 Q2M2H8 1/20 0.39
SOAT1 P35610 1/20 0.39
CYP4F2 P78329 2/20 0.38
CYP4A11 Q02928 2/20 0.38
MAPT P10636 4/20 0.38
HDAC4 P56524 2/20 0.38
HDAC6 Q9UBN7 2/20 0.38

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
SCHEMBL27889607 0.93 ALDH1A1 (0.48) ALDH1A1LMNAHSD17B10PKMKDM4E
SCHEMBL60813 0.93
Acetic Acid SCHEMBL28295119 0.91 ALDH1A1 (0.46) ALDH1A1LMNAHSD17B10PKMKDM4E
Methyl Alcohol SCHEMBL28596826 0.90 ALDH1A1 (0.46) ALDH1A1LMNAHSD17B10PKMKDM4E
SCHEMBL28056455 0.90 ALDH1A1 (0.46) ALDH1A1LMNAHSD17B10PKMKDM4E
SCHEMBL25271339 0.90 ALDH1A1 (0.46) ALDH1A1LMNAHSD17B10PKMKDM4E
Ethane SCHEMBL28099105 0.90 ALDH1A1 (0.46) ALDH1A1LMNAHSD17B10PKMKDM4E
SCHEMBL28496089 0.90 ALDH1A1 (0.46) ALDH1A1LMNAHSD17B10PKMKDM4E
Ammonia Solution, Strong SCHEMBL5963098 0.90 ALDH1A1 (0.46) ALDH1A1LMNAHSD17B10PKMKDM4E
Bicarbonate SCHEMBL23827515 0.88 ALDH1A1 (0.43) ALDH1A1LMNAHSD17B10PKMKDM4E

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
US-5481029-A Process for preparation of ketones SOLVAY FLUOR UND DERIVATE GMBH (DE) 1996-01-02 US disclosed