SCHEMBL4334227

SCHEMBL4334227

O=C(CCc1ccccc1)NCC(F)F

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 3/20 0.58
HDAC2 Q92769 1/20 0.58
HDAC8 Q9BY41 1/20 0.58
HDAC6 Q9UBN7 1/20 0.58
ALOX15 P16050 1/20 0.55
TDP1 Q9NUW8 1/20 0.55
HDAC1 Q13547 3/20 0.54
MAPT P10636 1/20 0.54
HTT P42858 1/20 0.54
ALDH1A1 P00352 3/20 0.54
L3MBTL1 Q9Y468 2/20 0.54
TSHR P16473 1/20 0.53
RAB9A P51151 2/20 0.53
MEN1 O00255 1/20 0.53
KMT2A Q03164 1/20 0.53
NPC1 O15118 1/20 0.51
SMN1; SMN2 Q16637 1/20 0.51
KDM4E B2RXH2 1/20 0.51
LMNA P02545 1/20 0.51
TRPV1 Q8NER1 1/20 0.51

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
SCHEMBL24130627 0.79 HPGD (0.54) HPGDHDAC2HDAC8HDAC6HDAC1
SCHEMBL8099116 0.79 HPGD (0.61) HPGDHDAC2HDAC8HDAC6MAPT
SCHEMBL24130629 0.79 HPGD (0.54) HPGDHDAC2HDAC8HDAC6HDAC1
SCHEMBL1661081 0.78 TRPV1 (0.76) HPGDHDAC2HDAC8HDAC6ALOX15
SCHEMBL2186352 0.78 HDAC2 (0.72) HPGDHDAC2HDAC8HDAC6HDAC1
SCHEMBL7455811 0.78 HDAC2 (0.66) HPGDHDAC2HDAC8HDAC6ALOX15
SCHEMBL23180466 0.78 HPGD (0.73) HPGDHDAC2HDAC8HDAC6HDAC1
Hydrocinnamoylglycine SCHEMBL3995983 0.77 HDAC2 (0.63) HPGDHDAC2HDAC8HDAC6ALOX15
SCHEMBL5196581 0.77 HDAC2 (0.63) HPGDHDAC2HDAC8HDAC6ALOX15
SCHEMBL7450998 0.77 HDAC2 (0.63) HPGDHDAC2HDAC8HDAC6ALOX15

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-2009147221-A1 SMALL MOLECULE LEPTIN RECEPTOR MODULATORS BIOVITRUM AB (PUBL) (SE) 2009-12-10 WO disclosed