SCHEMBL1290289

SCHEMBL1290289

COc1cc(OCCCCC(=O)O)cc(OC)c1CCNC(=O)OCC1c2ccccc2-c2ccccc21

nearest known ligand 0.62

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 2/20 0.62
▸ FABP5 Q01469 1/20 0.41
▸ CD274 Q9NZQ7 3/20 0.40
▸ ALDH1A1 P00352 2/20 0.39
▸ LMNA P02545 1/20 0.39
▸ SMN1; SMN2 Q16637 1/20 0.39
▸ S1PR1 P21453 1/20 0.39
▸ EPHX2 P34913 1/20 0.39
▸ CASP3 P42574 1/20 0.38

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
SCHEMBL29521733 0.91 KMT2A (0.59) KMT2AFABP5CD274EPHX2CASP3
SCHEMBL348791 0.91 KMT2A (0.59) KMT2AFABP5CD274EPHX2CASP3
SCHEMBL30340748 0.91 KMT2A (0.59) KMT2AFABP5CD274EPHX2CASP3
SCHEMBL3127362 0.85 KMT2A (0.55) KMT2AFABP5EPHX2CASP3
SCHEMBL14438907 0.83 KMT2A (0.48) KMT2AFABP5CD274EPHX2
SCHEMBL8013815 0.83 KMT2A (0.69) KMT2AS1PR1
SCHEMBL11888362 0.82 KMT2A (0.47) KMT2AFABP5CD274EPHX2
SCHEMBL1290287 0.82 KMT2A (0.52) KMT2AFABP5CASP3
SCHEMBL7166142 0.81 KMT2A (0.45) KMT2AFABP5CD274LMNA
SCHEMBL118248 0.80 KMT2A (0.62) KMT2AFABP5EPHX2CASP3

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130330369-A1 Reduction Of Antibody Response Against Botulinum Neurotoxin And Variants Thereof ALLERGAN, INC. (US) 2013-12-12 — — US disclosed
WO-2012048246-A1 REDUCTION OF ANTIBODY RESPONSE AGAINST BOTULINUM NEUROTOXIN AND VARIANTS THEREOF ALLERGAN, INC. (US) 2012-04-12 — — WO disclosed
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