SCHEMBL14694072

SCHEMBL14694072

O=C1[C@H](C2=CCCCC2)CCC[C@@H]1C1=CCCCC1

nearest known ligand 0.44

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 1/20 0.44
TLR4 O00206 1/20 0.40
TYMP P19971 1/20 0.32
HDAC4 P56524 1/20 0.31
HDAC2 Q92769 1/20 0.31
HDAC8 Q9BY41 1/20 0.31
HDAC6 Q9UBN7 1/20 0.31
MAPT P10636 1/20 0.30

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
SCHEMBL10258695 1.00 KDM1A (0.44) KDM1ATLR4TYMPHDAC4HDAC2
SCHEMBL3534201 0.87 KDM1A (0.38) KDM1ATLR4TYMP
SCHEMBL130772 0.82 TLR4 (0.56) KDM1ATLR4TYMPMAPT
SCHEMBL30130600 0.78 TLR4 (0.56) KDM1ATLR4MAPT
SCHEMBL1964176 0.75 TLR4 (0.48) KDM1ATLR4MAPT
SCHEMBL11443954 0.75 TLR4 (0.58) KDM1ATLR4MAPT
SCHEMBL13576613 0.73 KDM1A (0.42) KDM1ATLR4
SCHEMBL9593863 0.73 KDM1A (0.36) KDM1ATLR4
SCHEMBL10258708 0.73 KDM1A (0.36) KDM1ATLR4
SCHEMBL5175094 0.72 TLR4 (0.50) KDM1ATLR4MAPT

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-2234949-B1 METHOD FOR THE PRODUCTION OF 4,4'-[1-(TRIFLUOROMETHYL)ALKYLIDENE]-BIS-(2,6-DIPHENYLPHENOLS) BASF SE (DE) 2013-02-20 EP disclosed