SCHEMBL7706278

SCHEMBL7706278

CCCCOC(NC=O)(c1ccccc1)C(O)C(=O)O

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.36
LMNA P02545 3/20 0.36
NPC1 O15118 2/20 0.36
RAB9A P51151 2/20 0.36
KMT2A Q03164 2/20 0.36
KIF11 P52732 1/20 0.36
CTSK P43235 4/20 0.36
PPARG P37231 2/20 0.35
PPARA Q07869 2/20 0.35
POLB P06746 2/20 0.35
TDP1 Q9NUW8 3/20 0.35
TSHR P16473 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
ALOX5 P09917 1/20 0.34
ALDH1A1 P00352 3/20 0.34
GAA P10253 1/20 0.34
KDM4E B2RXH2 3/20 0.34
MEN1 O00255 1/20 0.34
FAAH O00519 1/20 0.34
EDNRB P24530 1/20 0.34

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
SCHEMBL8085861 0.78 KCNN4 (0.36) SMN1; SMN2KMT2AKIF11TDP1TSHR
SCHEMBL3789477 0.74 CYP2C19 (0.40) SMN1; SMN2LMNAKMT2ACTSKPOLB
SCHEMBL3997658 0.70 ALDH1A1 (0.34) SMN1; SMN2TDP1TSHRL3MBTL1ALDH1A1
SCHEMBL9261168 0.68 MAPT (0.34) LMNANPC1RAB9AKMT2AKIF11
SCHEMBL27530901 0.68 LTA4H (0.41) SMN1; SMN2LMNANPC1RAB9AKMT2A
SCHEMBL27663466 0.66 TSHR (0.45) SMN1; SMN2LMNAKMT2APPARGPPARA
SCHEMBL28821829 0.66 CTSK (0.38) NPC1RAB9AKMT2ACTSKMEN1
Hydrochloric Acid SCHEMBL29208958 0.66 LMNA (0.40) LMNARAB9AKMT2APOLBTSHR
SCHEMBL10490529 0.65 LTA4H (0.44) KMT2AKIF11TDP1TSHRL3MBTL1
SCHEMBL8563142 0.65 EDNRB (0.34) KMT2AKIF11POLBEDNRBEDNRA

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
EP-1176957-A1 METHOD FOR TREATING ABNORMAL CELL PROLIFERATION IN THE BRAIN Aventis Pharma S.A. (FR) 2002-02-06 EP claimed
WO-2000066113-A1 METHOD FOR TREATING ABNORMAL CELL PROLIFERATION IN THE BRAIN AVENTIS PHARMA S.A. (FR) 2000-11-09 WO claimed