SCHEMBL8890195

SCHEMBL8890195

CC(=O)OCC(=O)NNC(=O)c1ccc(Cl)cc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.60
TDP1 Q9NUW8 2/20 0.56
KMT2A Q03164 2/20 0.55
MEN1 O00255 1/20 0.55
POLB P06746 3/20 0.54
ALDH1A1 P00352 4/20 0.54
KDM4E B2RXH2 2/20 0.54
GAA P10253 1/20 0.54
CTDSP1 Q9GZU7 1/20 0.54
USP2 O75604 1/20 0.52
HPGD P15428 1/20 0.52
LMNA P02545 2/20 0.50
L3MBTL1 Q9Y468 1/20 0.50
NPC1 O15118 1/20 0.49
HTT P42858 1/20 0.49
RAB9A P51151 1/20 0.49
HDAC3 O15379 1/20 0.49
HDAC1 Q13547 1/20 0.49
HDAC2 Q92769 1/20 0.49
PTGS2 P35354 1/20 0.49

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
SCHEMBL2636124 0.78 ALDH1A1 (0.59) SMN1; SMN2TDP1KMT2AMEN1POLB
SCHEMBL1155564 0.78 ALDH1A1 (0.62) KMT2AMEN1ALDH1A1KDM4EUSP2
SCHEMBL14880879 0.78 HPGD (0.47) SMN1; SMN2KMT2AMEN1ALDH1A1KDM4E
SCHEMBL31456325 0.77 POLB (0.67) SMN1; SMN2TDP1KMT2AMEN1POLB
SCHEMBL10594113 0.77 ALDH1A1 (0.66) SMN1; SMN2TDP1KMT2AMEN1POLB
SCHEMBL3363014 0.77 MEN1 (0.54) SMN1; SMN2KMT2AMEN1ALDH1A1KDM4E
SCHEMBL10762419 0.76 MEN1 (0.57) SMN1; SMN2TDP1KMT2AMEN1POLB
Ethyl Acetate SCHEMBL28704417 0.74 SMN1; SMN2 (0.60) SMN1; SMN2POLBALDH1A1KDM4EGAA
SCHEMBL10570773 0.74 SMN1; SMN2 (0.70) SMN1; SMN2TDP1KMT2AMEN1POLB
SCHEMBL3042045 0.74 POLB (0.62) SMN1; SMN2TDP1KMT2AMEN1POLB

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-1997003967-A1 SUBSTITUTED AROMATIC COMPOUNDS AND THEIR PHARMACEUTICAL USE RHONE-POULENC RORER LIMITED (GB) 1997-02-06 WO disclosed