SCHEMBL19789855

SCHEMBL19789855

COc1cc(C(C)NC(C)=O)ccc1OCC(=O)O

nearest known ligand 0.54

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
POLB P06746 4/20 0.54
MEN1 O00255 1/20 0.51
KMT2A Q03164 1/20 0.51
LMNA P02545 1/20 0.51
SMN1; SMN2 Q16637 3/20 0.50
HPGD P15428 1/20 0.50
APP P05067 1/20 0.46
HDAC3 O15379 1/20 0.45
HDAC4 P56524 1/20 0.45
HDAC1 Q13547 1/20 0.45
HDAC7 Q8WUI4 1/20 0.45
HDAC2 Q92769 1/20 0.45
HDAC10 Q969S8 1/20 0.45
HDAC11 Q96DB2 1/20 0.45
HDAC8 Q9BY41 1/20 0.45
HDAC6 Q9UBN7 1/20 0.45
HDAC9 Q9UKV0 1/20 0.45
HDAC5 Q9UQL6 1/20 0.45
ACACB O00763 1/20 0.45

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
SCHEMBL12180529 0.83 MEN1 (0.58) POLBMEN1KMT2ASMN1; SMN2APP
SCHEMBL2106645 0.81 HPGD (0.54) LMNASMN1; SMN2HPGDACACB
SCHEMBL2106643 0.81 HPGD (0.54) LMNASMN1; SMN2HPGDACACB
SCHEMBL15052901 0.76 HPGD (0.56) LMNASMN1; SMN2HPGDACACB
SCHEMBL17859718 0.75 HPGD (0.58) POLBKMT2ASMN1; SMN2HPGDACACB
SCHEMBL31500690 0.74 HPGD (0.63) KMT2ASMN1; SMN2HPGD
SCHEMBL31500691 0.74 HPGD (0.63) KMT2ASMN1; SMN2HPGD
SCHEMBL27493711 0.74 HPGD (0.63) KMT2ASMN1; SMN2HPGD
SCHEMBL15200213 0.73 HPGD (0.59) POLBKMT2ALMNASMN1; SMN2HPGD
SCHEMBL5907838 0.73 KMT2A (0.73) POLBMEN1KMT2ASMN1; SMN2HDAC3

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-2582709-B1 AZOLOPYRIDIN-3-ONE DERIVATIVES AS INHIBITORS OF LIPASES AND PHOSPHOLIPASES SANOFI SA (FR) 2018-01-24 EP disclosed