SCHEMBL14902893

SCHEMBL14902893

O=C(CC(=O)C(F)(F)F)c1cc2c(s1)c(CC1CCCCC1)c(CC1CCCCC1)c1sccc12

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 6/20 0.39
HDAC4 P56524 3/20 0.39
HDAC3 O15379 2/20 0.39
HDAC1 Q13547 2/20 0.39
MLYCD O95822 1/20 0.34
L3MBTL1 Q9Y468 2/20 0.32
NPC1 O15118 1/20 0.32
RAB9A P51151 1/20 0.32
POLB P06746 1/20 0.31
CSNK1D P48730 1/20 0.31
ALDH1A1 P00352 1/20 0.30
CASP3 P42574 1/20 0.30
SENP7 Q9BQF6 1/20 0.30
SENP6 Q9GZR1 1/20 0.30
TDP1 Q9NUW8 1/20 0.30
HPGD P15428 1/20 0.30
FEN1 P39748 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
SCHEMBL14902899 0.77 PLOD2 (0.35) HDAC6HDAC4HDAC3HDAC1FEN1
SCHEMBL14902937 0.76 FEN1 (0.30) FEN1
SCHEMBL14902877 0.75 FEN1 (0.34) FEN1
SCHEMBL15087935 0.74 PDE4A (0.39) L3MBTL1NPC1POLBALDH1A1CASP3
SCHEMBL14902862 0.72 GPR35 (0.42) MLYCD
SCHEMBL14902895 0.68 GAA (0.38) HDAC6HDAC4HDAC3HDAC1L3MBTL1
SCHEMBL14902896 0.68 HDAC4 (0.38) HDAC6HDAC4HDAC3HDAC1NPC1
SCHEMBL14902911 0.67 PDE4A (0.34) FEN1
SCHEMBL14902905 0.67 HDAC6 (0.36) HDAC6HDAC4HDAC3HDAC1CSNK1D
SCHEMBL15087934 0.65

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
WO-2013060702-A1 PHOTOLUMINESCENT COMPOUND OR MIXTURE OF PHOTOLUMINESCENT COMPOUNDS ENI S.P.A. (IT) 2013-05-02 WO disclosed