SCHEMBL13869716

SCHEMBL13869716

CN(Cc1ccccc1)C(=O)CCc1ccc(O)cc1

nearest known ligand 0.84

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.84
NPC1 O15118 4/20 0.70
RAB9A P51151 4/20 0.70
MTOR P42345 1/20 0.56
CA12 O43570 1/20 0.56
CA9 Q16790 1/20 0.56
MEN1 O00255 2/20 0.55
HTT P42858 1/20 0.55
L3MBTL1 Q9Y468 1/20 0.55
CDK4 P11802 1/20 0.54
SMN1; SMN2 Q16637 2/20 0.51
ALDH1A1 P00352 2/20 0.49
POLB P06746 1/20 0.49
RIPK1 Q13546 1/20 0.49
BCHE P06276 1/20 0.48
ACHE P22303 1/20 0.48
TRPV1 Q8NER1 1/20 0.48
TSPO P30536 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
SCHEMBL4064581 0.92 KMT2A (1.00) KMT2ANPC1RAB9ACA12CA9
SCHEMBL4319665 0.88 KMT2A (0.64) KMT2ANPC1RAB9AMEN1L3MBTL1
SCHEMBL7442885 0.84 KMT2A (0.77) KMT2ANPC1RAB9AMEN1HTT
SCHEMBL9347002 0.84 KMT2A (0.72) KMT2ANPC1RAB9ACA12CA9
SCHEMBL9193944 0.80 KMT2A (0.71) KMT2ANPC1RAB9AMEN1HTT
SCHEMBL19002583 0.80 RAB9A (0.58) KMT2ANPC1RAB9AMTORCA12
SCHEMBL4072151 0.80 NPC1 (0.85) KMT2ANPC1RAB9ACA12CA9
SCHEMBL414702 0.79 NPC1 (0.60) KMT2ANPC1RAB9ACA12CA9
SCHEMBL12290151 0.78 NPC1 (0.82) KMT2ANPC1RAB9ACA12CA9
SCHEMBL14219225 0.78 KMT2A (0.74) KMT2ANPC1RAB9AMEN1HTT

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
US-7521461-B2 Benzoic acid derivatives as modulators of PPAR alpha and gamma ASTRAZENECA AB (SE) 2009-04-21 US disclosed