SCHEMBL4333356

SCHEMBL4333356

O=C(O)N(CCc1ccccc1)C(=O)O

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.55
TDP1 Q9NUW8 2/20 0.55
MEN1 O00255 1/20 0.55
NPC1 O15118 1/20 0.55
RAB9A P51151 1/20 0.55
KEAP1 Q14145 1/20 0.52
TAAR1 Q96RJ0 1/20 0.52
ALOX5 P09917 5/20 0.52
HDAC2 Q92769 2/20 0.48
HDAC8 Q9BY41 2/20 0.48
HDAC6 Q9UBN7 2/20 0.48
AOC3 Q16853 1/20 0.48
HDAC3 O15379 1/20 0.48
MAPK1 P28482 1/20 0.48
ADRA1A P35348 1/20 0.48
HDAC4 P56524 1/20 0.48
SLC6A3 Q01959 1/20 0.48
HDAC1 Q13547 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
HDAC7 Q8WUI4 1/20 0.48

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
SCHEMBL15955098 0.88 KMT2A (0.49) KMT2ATDP1MEN1NPC1RAB9A
SCHEMBL4325564 0.83 ESR1 (0.52) KMT2ATDP1TAAR1ALDH1A1CYP2C19
SCHEMBL5933377 0.82 TDP1 (0.66) KMT2ATDP1MEN1NPC1RAB9A
SCHEMBL1520687 0.80 ALOX5 (0.65) KMT2ATDP1MEN1NPC1RAB9A
SCHEMBL30443271 0.79 KMT2A (0.53) KMT2ATDP1MEN1NPC1RAB9A
SCHEMBL6875797 0.79 TAAR1 (0.46) KMT2ATDP1MEN1NPC1RAB9A
SCHEMBL28028786 0.79 ALOX5 (0.54) KMT2AALOX5HDAC3LMNAOPRM1
SCHEMBL2018404 0.78 TDP1 (0.52) KMT2ATDP1MEN1NPC1RAB9A
SCHEMBL7228409 0.78 MEN1 (0.61) KMT2ATDP1MEN1NPC1RAB9A
SCHEMBL1206390 0.78 AOC3 (0.55) KMT2ATDP1MEN1NPC1RAB9A

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