SCHEMBL10299448

SCHEMBL10299448

CCc1ccc(NCCC(=O)OC)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.53
SMN1; SMN2 Q16637 3/20 0.52
MEN1 O00255 3/20 0.46
KMT2A Q03164 3/20 0.46
ALDH1A1 P00352 3/20 0.46
HPGD P15428 2/20 0.46
HSD17B10 Q99714 2/20 0.46
GAA P10253 2/20 0.46
MAPT P10636 2/20 0.46
APAF1 O14727 1/20 0.46
USP2 O75604 1/20 0.46
ALOX15 P16050 1/20 0.46
ALOX12 P18054 1/20 0.46
MAPK1 P28482 1/20 0.46
CASP1 P29466 1/20 0.46
BLM P54132 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
TSHR P16473 1/20 0.46
CA2 P00918 2/20 0.46
CA12 O43570 1/20 0.46

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
SCHEMBL3171431 0.87 POLB (0.51) POLBMEN1KMT2AALDH1A1HPGD
SCHEMBL4840473 0.85 SMN1; SMN2 (0.51) POLBSMN1; SMN2KMT2AALDH1A1HPGD
Hydrochloric Acid SCHEMBL4840463 0.83 SMN1; SMN2 (0.50) POLBSMN1; SMN2KMT2AALDH1A1HPGD
SCHEMBL2056407 0.82 POLB (0.65) POLBSMN1; SMN2MEN1KMT2AALDH1A1
SCHEMBL6249295 0.82 POLB (0.49) POLBSMN1; SMN2MEN1KMT2AALDH1A1
SCHEMBL13948407 0.82 MAPT (0.57) POLBSMN1; SMN2MEN1KMT2AALDH1A1
SCHEMBL5184390 0.82 SMN1; SMN2 (0.55) POLBSMN1; SMN2MEN1KMT2AALDH1A1
SCHEMBL31601639 0.82 SMN1; SMN2 (0.55) POLBSMN1; SMN2MEN1KMT2AALDH1A1
SCHEMBL4824629 0.81 SMN1; SMN2 (0.54) POLBSMN1; SMN2KMT2AALDH1A1HPGD
SCHEMBL4247879 0.81 SMN1; SMN2 (0.54) POLBSMN1; SMN2MEN1KMT2AALDH1A1

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-1550662-B1 ADENINE COMPOUND AND USE THEREOF DAINIPPON SUMITOMO PHARMA CO (JP) 2012-07-04 EP disclosed