SCHEMBL5175602

SCHEMBL5175602

CCCC(C=Cc1ccccc1)C(C)=O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GLA P06280 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
CYP1A2 P05177 2/20 0.45
HDAC3 O15379 4/20 0.43
HDAC4 P56524 3/20 0.43
HDAC1 Q13547 3/20 0.43
HDAC7 Q8WUI4 3/20 0.43
HDAC2 Q92769 3/20 0.43
HDAC10 Q969S8 3/20 0.43
HDAC11 Q96DB2 3/20 0.43
HDAC8 Q9BY41 3/20 0.43
HDAC6 Q9UBN7 3/20 0.43
HDAC9 Q9UKV0 3/20 0.43
HDAC5 Q9UQL6 3/20 0.43
NPC1 O15118 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
CNR2 P34972 1/20 0.42
ALDH1A1 P00352 2/20 0.41

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
SCHEMBL579053 0.88 EGFR (0.49) GLATDP1CYP1A2HDAC3HDAC4
SCHEMBL7761258 0.83 MEN1 (0.42) GLATDP1CYP1A2HDAC3HDAC4
SCHEMBL27260435 0.83 HDAC3 (0.44) TDP1CYP1A2HDAC3HDAC4HDAC1
SCHEMBL8722881 0.78 EGFR (0.51) TDP1CYP1A2HDAC3HDAC4HDAC1
SCHEMBL5858046 0.78 EGFR (0.51) TDP1CYP1A2HDAC3HDAC4HDAC1
SCHEMBL5858044 0.78 EGFR (0.51) TDP1CYP1A2HDAC3HDAC4HDAC1
SCHEMBL8722883 0.78 EGFR (0.51) TDP1CYP1A2HDAC3HDAC4HDAC1
SCHEMBL11069954 0.77 CYP1A2 (0.53) GLATDP1CYP1A2HDAC3HDAC4
SCHEMBL9146868 0.77 CYP1A2 (0.49) GLATDP1CYP1A2HDAC3HDAC4
SCHEMBL6897130 0.75 MEN1 (0.42) GLATDP1CYP1A2HDAC3HDAC4

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-1238572-B1 A THERMOPLASTIC LAMINATE FABRIC HEATER AND METHODS FOR MAKING SAME THERMION SYSTEMS INT (US) 2007-02-14 EP claimed