SCHEMBL11267692

SCHEMBL11267692

CCCCOC(=O)C1(CCCCc2cccc(C(F)(F)F)c2)CO1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 1/20 0.43
HDAC8 Q9BY41 1/20 0.43
MAPT P10636 3/20 0.43
ABCB11 O95342 1/20 0.43
LMNA P02545 1/20 0.43
MAPK1 P28482 1/20 0.43
MAOB P27338 1/20 0.41
FAAH O00519 1/20 0.40
EPHX1 P07099 1/20 0.40
KMT2A Q03164 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
PRKCA P17252 1/20 0.39
PRKCD Q05655 1/20 0.39
HTT P42858 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
GAA P10253 1/20 0.39
TRPV1 Q8NER1 1/20 0.39
ALOX5 P09917 1/20 0.39
CYP2D6 P10635 1/20 0.38
CACNA1B Q00975 1/20 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
SCHEMBL11276117 0.99 MAPT (0.44) HDAC1HDAC8MAPTABCB11LMNA
SCHEMBL11298550 0.92 HDAC1 (0.41) HDAC1HDAC8MAPTABCB11LMNA
SCHEMBL11292203 0.88 MAPT (0.48) HDAC1HDAC8MAPTABCB11LMNA
SCHEMBL11261814 0.87 MAPT (0.46) HDAC1HDAC8MAPTABCB11LMNA
SCHEMBL11271715 0.85 HDAC1 (0.49) HDAC1HDAC8LMNAMAOBKMT2A
SCHEMBL11259374 0.85 HDAC1 (0.49) HDAC1HDAC8LMNAMAOBKMT2A
SCHEMBL11289835 0.85 LMNA (0.54) MAPTABCB11LMNAMAPK1FAAH
SCHEMBL11290353 0.84 FAAH (0.50) MAPTABCB11LMNAMAPK1FAAH
SCHEMBL11294373 0.84 MAPT (0.48) HDAC1HDAC8MAPTABCB11LMNA
SCHEMBL11295197 0.83 MAPT (0.50) HDAC1HDAC8MAPTABCB11LMNA

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-4324796-A HYPOGLYCEMIC AGENTS, HYPOKETONEMIC AGENTS BYK GULDEN LOMBERG CHEMISCHE FABRIK GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1982-04-13 US disclosed