SCHEMBL11298550

SCHEMBL11298550

CCCCOC(=O)C1(CCOCCCCc2cccc(C(F)(F)F)c2)CO1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 1/20 0.41
HDAC8 Q9BY41 1/20 0.41
MAOB P27338 1/20 0.39
MAPT P10636 3/20 0.38
ABCB11 O95342 1/20 0.38
LMNA P02545 1/20 0.38
MAPK1 P28482 1/20 0.38
FAAH O00519 1/20 0.38
HTT P42858 2/20 0.38
POLB P06746 1/20 0.38
EPHX1 P07099 1/20 0.38
KMT2A Q03164 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
ALDH1A1 P00352 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
GAA P10253 1/20 0.37
TRPV1 Q8NER1 1/20 0.37
ALOX5 P09917 1/20 0.36
NOD2 Q9HC29 1/20 0.36

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
SCHEMBL11267692 0.92 HDAC1 (0.43) HDAC1HDAC8MAOBMAPTABCB11
SCHEMBL11276117 0.91 MAPT (0.44) HDAC1HDAC8MAOBMAPTABCB11
SCHEMBL11292203 0.89 MAPT (0.48) HDAC1HDAC8MAOBMAPTABCB11
SCHEMBL11294373 0.85 MAPT (0.48) HDAC1HDAC8MAOBMAPTABCB11
SCHEMBL11292125 0.84 MAPT (0.50) HDAC1HDAC8MAOBMAPTABCB11
SCHEMBL11295197 0.84 MAPT (0.50) HDAC1HDAC8MAOBMAPTABCB11
SCHEMBL11293245 0.82 HDAC1 (0.41) HDAC1HDAC8MAOBMAPTHTT
SCHEMBL11261814 0.82 MAPT (0.46) HDAC1HDAC8MAOBMAPTABCB11
SCHEMBL11289835 0.80 LMNA (0.54) MAPTABCB11LMNAMAPK1FAAH
SCHEMBL11266840 0.80 THRB (0.47) HDAC1HDAC8MAOBMAPTABCB11

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-4337267-A HYPOKETONEMIC, HYPOGLYCEMIC, ANTIDIABETIC BYK GULDEN LOMBERG CHEMISCHE FABRIK GMBH (DE) 1982-06-29 US disclosed