SCHEMBL8049490

SCHEMBL8049490

C=CCCNCC=CCOc1ccc(CC(=O)CCC=C(C)C)cc1F

nearest known ligand 0.34

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PTGES O14684 4/20 0.34
TRPV1 Q8NER1 4/20 0.33
MTNR1A P48039 1/20 0.32
EGFR P00533 1/20 0.32
BTK Q06187 1/20 0.32
HDAC3 O15379 1/20 0.32
HDAC4 P56524 1/20 0.32
HDAC1 Q13547 1/20 0.32
HDAC7 Q8WUI4 1/20 0.32
HDAC2 Q92769 1/20 0.32
HDAC10 Q969S8 1/20 0.32
HDAC11 Q96DB2 1/20 0.32
HDAC8 Q9BY41 1/20 0.32
HDAC6 Q9UBN7 1/20 0.32
HDAC9 Q9UKV0 1/20 0.32
HDAC5 Q9UQL6 1/20 0.32

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
SCHEMBL8904428 0.83 PTGES (0.36) PTGESTRPV1MTNR1A
SCHEMBL8045817 0.83 PTGES (0.36) PTGESTRPV1MTNR1A
SCHEMBL3679440 0.83 LSS (0.40) PTGESTRPV1MTNR1A
SCHEMBL3679448 0.83 LSS (0.40) PTGESTRPV1MTNR1A
SCHEMBL7769135 0.80 PTGES (0.36) PTGESTRPV1MTNR1AHDAC3HDAC4
SCHEMBL7772093 0.80 PTGES (0.38) PTGESTRPV1MTNR1AHDAC3HDAC4
SCHEMBL7768105 0.79 PTGES (0.34) PTGESTRPV1MTNR1AHDAC3HDAC4
SCHEMBL7772100 0.79 KDM4E (0.33) PTGESEGFRBTK
SCHEMBL8047705 0.78 PPARD (0.38)
SCHEMBL7769445 0.76 KDM4E (0.36)

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-0636367-B1 Use of phenylalkylamines for producing cholesterol lowering agents HOFFMANN LA ROCHE (CH) 2000-03-29 EP claimed